%chk=000063216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063216

0 1
 O    6.151500       1.298800     -0.7161000    
 O    2.147800     -0.5213000       1.650400    
 O   -3.596800      -1.653000     -0.2927000    
 N    3.509500       1.268200      0.3425000    
 N   0.3052000     -0.4105000      0.1983000    
 N   -2.091100      0.1341000     -0.1449000    
 C    2.056600       1.341500      0.2026000    
 C    4.049200      0.1274000     -0.4102000    
 C    4.140900       2.515000     -0.1116000    
 C  -0.6949000      0.5163000     -0.3437000    
 C    1.516100      4.0100001E-02  0.7522000    
 C  -9.7000003E-03  -1.800400      6.4599998E-02
 C    5.566900      7.8800000E-02 -0.2587000    
 C    5.656700       2.410300      3.1700000E-02
 C   -1.334700      -2.197400     -0.1749000    
 C   -2.451100      -1.217000     -0.2029000    
 C   -3.085100       1.178900     -7.5300001E-02
 C   0.9795000      -2.798700      0.1174000    
 C   -1.651200      -3.558300     -0.3363000    
 C   0.6586000      -4.149000     -4.4599999E-02
 C  -0.6565000      -4.529300     -0.2697000    
 C   -4.307600      0.9295000      0.5411000    
 C   -2.814500       2.428000     -0.6258000    
 C   -5.268200       1.938600      0.6078000    
 C   -3.775200       3.437100     -0.5590000    
 C   -5.002000       3.192500      5.7799999E-02
 H    1.648000       2.158700      0.8070000    
 H    1.761100       1.480600     -0.8431000    
 H    3.800300      0.2319000      -1.475100    
 H    3.673900     -0.8443000     -8.2599998E-02
 H    3.784300       3.361100      0.4867000    
 H    3.886600       2.709900      -1.161700    
 H  -0.5115000      0.6032000      -1.421900    
 H  -0.5199000       1.485500      0.1335000    
 H    5.864900     -0.1043000      0.7809000    
 H    5.976800     -0.7328000     -0.8685000    
 H    6.131600       3.314400     -0.3625000    
 H    5.957700       2.308300       1.081500    
 H    2.026800      -2.551800      0.2625000    
 H   -2.673000      -3.885300     -0.5122000    
 H    1.442000      -4.900200     -7.9999998E-04
 H  -0.9082000      -5.577900     -0.3962000    
 H   -4.539400     -9.2000002E-03   1.032800    
 H   -1.885100       2.653300      -1.140000    
 H   -6.218900       1.752700       1.099200    
 H   -3.570700       4.411900     -0.9924000    
 H   -5.749400       3.978600      0.1112000    


%chk=000063216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063216

0 1
O 5.777648 2.598668 0.182927
O 2.424322 -1.411969 0.425624
O -3.592197 -1.427426 0.712214
N 3.194166 1.280035 0.126168
N 0.316232 -1.096373 -0.525494
N -1.912197 -0.136620 -0.322213
C 1.896907 0.852193 -0.401798
C 4.360135 0.710362 -0.600020
C 3.301390 2.759239 0.222455
C -0.701208 -0.246475 -1.170530
C 1.591782 -0.638407 -0.118531
C -0.171852 -2.424298 -0.270015
C 5.661006 1.131242 0.099354
C 4.621737 3.138240 0.914604
C -1.575001 -2.548889 -0.033660
C -2.460525 -1.351626 0.147731
C -2.549421 1.141673 -0.146140
C 0.652013 -3.575448 -0.268751
C -2.138283 -3.832381 0.167770
C 0.068503 -4.844281 -0.069389
C -1.325555 -4.980789 0.141015
C -3.232608 1.450040 1.060038
C -2.477015 2.117906 -1.175050
C -3.819044 2.720944 1.228087
C -3.058739 3.391225 -0.990642
C -3.732294 3.701159 0.211468
H 1.114484 1.469296 0.082189
H 1.807068 1.028659 -1.509734
H 4.380901 1.063689 -1.663099
H 4.280466 -0.389004 -0.586899
H 2.452868 3.146945 0.818528
H 3.269465 3.245507 -0.786058
H -0.962195 -0.706044 -2.145259
H -0.306078 0.758704 -1.350572
H 5.686064 0.694565 1.119929
H 6.543350 0.798229 -0.471162
H 4.761741 4.231890 0.928180
H 4.617951 2.747062 1.954591
H 1.727489 -3.473083 -0.413666
H -3.212230 -3.890673 0.371368
H 0.709445 -5.732644 -0.080947
H -1.765818 -5.971199 0.294403
H -3.313077 0.695901 1.844932
H -2.004349 1.882845 -2.135594
H -4.343331 2.946815 2.163059
H -2.997478 4.132541 -1.794957
H -4.188840 4.686553 0.351844


