%chk=000057094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057094

0 1
 O  -0.8782000      -1.703600      -1.935800    
 O    1.254400      -1.074700     -0.4509000    
 O   0.1578000      -2.522600      0.9593000    
 N    4.920900      -1.131900     -5.7500001E-02
 C   -1.026500       2.464500      0.4503000    
 C  -0.6235000       3.248200       1.674500    
 C  -0.4442000       4.740700       1.402900    
 C   -1.623500       5.282200      0.6050000    
 C   -1.704200       4.598300     -0.7586000    
 C   -1.573500       3.097700     -0.6812000    
 C   -1.295900      0.3073000     -0.6364000    
 C  -0.9050000       1.066800      0.4660000    
 C   -1.154700      -1.177100     -0.6071000    
 C   -1.953500       2.322900      -1.787500    
 C   -1.817700      0.9353000      -1.763200    
 C   -2.416100      -1.873600     -4.9699999E-02
 C   0.1406000      -1.673200      7.6399997E-02
 C    3.626400     -0.7422000     -0.5963000    
 C    2.506000      -1.500900      9.6799999E-02
 C   -2.853000      -1.593200       1.245000    
 C   -3.118400      -2.782600     -0.8411000    
 C    5.165500     -0.4756000       1.229200    
 C    5.993700     -0.8094000      -1.001300    
 C   -3.992000      -2.221800       1.748300    
 C   -4.257300      -3.411100     -0.3378000    
 C   -4.694000      -3.130600      0.9570000    
 C    6.483600     -0.9281000       1.834500    
 C    6.082300      0.6883000      -1.240900    
 H   0.3142000       2.850100       2.080700    
 H   -1.400200       3.109600       2.437000    
 H  -0.3510000       5.278800       2.352900    
 H   0.4854000       4.909900      0.8447000    
 H   -2.553000       5.113300       1.163300    
 H   -1.523000       6.364700      0.4682000    
 H   -2.657400       4.866100      -1.230100    
 H  -0.8991000       4.976300      -1.401100    
 H  -0.4994000      0.5886000       1.354800    
 H   -2.361400       2.800000      -2.675400    
 H   -2.138400      0.3673000      -2.632300    
 H    3.556600     -0.9799000      -1.666700    
 H    3.433600      0.3359000     -0.5180000    
 H  -0.2117000      -1.134300      -2.358400    
 H    2.620800      -2.579500     -6.6500001E-02
 H    2.487100      -1.302400       1.173000    
 H   -2.317600     -0.9037000       1.889600    
 H   -2.813700      -3.026100      -1.854300    
 H    4.392300     -0.7808000       1.943200    
 H    5.113000      0.6183000       1.190700    
 H    5.798300      -1.314300      -1.956400    
 H    6.960900      -1.208200     -0.6781000    
 H   -4.330000      -2.006500       2.757800    
 H   -4.805000      -4.118600     -0.9537000    
 H   -5.580400      -3.620600       1.349100    
 H    6.584800      -2.018800       1.816200    
 H    7.350400     -0.4836000       1.336400    
 H    6.531000     -0.6156000       2.883800    
 H    6.837000      0.8717000      -2.015500    
 H    6.414600       1.249400     -0.3632000    
 H    5.154300       1.128500      -1.616200    


%chk=000057094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057094

0 1
O -0.665475 -1.191883 -2.040250
O 1.396519 -1.203515 -0.487467
O 0.198571 -1.394574 1.498257
N 5.113042 -1.244451 0.001923
C -1.406225 2.762995 0.757529
C -1.149348 3.504340 2.068654
C -1.159205 5.040594 1.908749
C -2.398596 5.485004 1.100864
C -2.339836 4.904128 -0.329454
C -1.990907 3.417356 -0.361142
C -1.309657 0.645050 -0.514748
C -1.076191 1.386181 0.664892
C -0.995440 -0.870941 -0.647587
C -2.227775 2.664473 -1.539988
C -1.895191 1.300278 -1.627047
C -2.207119 -1.743667 -0.256600
C 0.220906 -1.205247 0.265314
C 3.821253 -1.103318 -0.708838
C 2.674927 -1.449721 0.251573
C -2.887627 -1.525168 0.966166
C -2.639337 -2.781043 -1.116701
C 5.510691 -0.016538 0.737920
C 6.184979 -1.895790 -0.791202
C -3.984575 -2.337297 1.325061
C -3.742938 -3.588465 -0.758129
C -4.418312 -3.372178 0.463953
C 6.607004 -0.266327 1.789754
C 6.744623 -1.079216 -1.988532
H -0.189218 3.167111 2.504772
H -1.934375 3.217410 2.799956
H -1.150411 5.521130 2.905359
H -0.242520 5.371031 1.379645
H -3.313621 5.127683 1.614753
H -2.461062 6.588728 1.055208
H -3.301351 5.069897 -0.853166
H -1.575138 5.461668 -0.910841
H -0.627479 0.898245 1.539311
H -2.684478 3.162810 -2.404983
H -2.076420 0.730867 -2.543233
H 3.794099 -1.801773 -1.564950
H 3.658831 -0.080094 -1.120452
H 0.285810 -0.944883 -2.181445
H 2.707180 -2.509873 0.553988
H 2.680532 -0.822812 1.160525
H -2.564982 -0.725036 1.638568
H -2.111084 -2.935830 -2.060488
H 4.609132 0.362951 1.255376
H 5.836881 0.799169 0.044688
H 5.782827 -2.857996 -1.161672
H 7.012417 -2.153499 -0.105166
H -4.501208 -2.161357 2.275343
H -4.072876 -4.385845 -1.433994
H -5.272594 -3.999952 0.742317
H 6.301478 -1.077155 2.474245
H 7.570470 -0.547885 1.328089
H 6.779262 0.650088 2.383300
H 7.504564 -1.671403 -2.531525
H 7.225149 -0.141279 -1.655465
H 5.944427 -0.817576 -2.705588


