%chk=000011066.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011066

0 1
 O   -6.251500     -1.6200000E-02 -0.1130000    
 O   -5.129700      -2.100800      0.3321000    
 O    2.057700       2.368500      0.5007000    
 O    4.325200       1.256000      0.2647000    
 O    5.697900      -1.056100     -0.1945000    
 N   4.2500000E-02   1.219200      0.2261000    
 C  -0.7549000       2.426100      0.4702000    
 C   -1.989400       2.486800     -0.4178000    
 C  -0.6218000      3.7000000E-03  1.4400000E-02
 C   -2.795400       1.230700     -0.2268000    
 C   -2.115700      2.0000001E-03 -2.7999999E-03
 C    1.444500       1.327300      0.2734000    
 C   7.5900003E-02  -1.124000     -0.2137000    
 C    2.218100      8.5699998E-02  2.8700000E-02
 C    1.536200      -1.109700     -0.2112000    
 C   -4.197000       1.285600     -0.2935000    
 C   -2.879100      -1.161000      0.2119000    
 C   -4.897700      0.1172000     -9.6299998E-02
 C   -4.257300      -1.070300      0.1553000    
 C    3.617800      0.1122000      3.6200002E-02
 C    2.264900      -2.282100     -0.4450000    
 C    4.335000      -1.060800     -0.1978000    
 C    3.660200      -2.256100     -0.4381000    
 C   -6.391900      -1.425700      0.1574000    
 C    4.662200       2.045500     -0.8731000    
 C    6.343200      -1.303700       1.052800    
 H  -0.1456000       3.321500      0.3050000    
 H   -1.032100       2.417300       1.532600    
 H   -1.705300       2.568400      -1.473800    
 H   -2.579000       3.372200     -0.1544000    
 H  -0.3971000      -2.077700     -0.4205000    
 H   -4.715000       2.219800     -0.4831000    
 H   -2.423200      -2.122100      0.4248000    
 H    1.757000      -3.224900     -0.6341000    
 H    4.214000      -3.172900     -0.6217000    
 H   -6.927000      -1.892000     -0.6778000    
 H   -6.986100      -1.550700       1.070000    
 H    3.807700       2.172600      -1.545800    
 H    5.491600       1.581300      -1.415700    
 H    4.983000       3.030900     -0.5240000    
 H    6.088300      -2.301100       1.424800    
 H    6.063200     -0.5446000       1.789900    
 H    7.424100      -1.255200      0.8947000    


%chk=000011066-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011066

0 1
O -6.317350 0.048319 -0.148096
O -5.254049 -2.069225 0.234601
O 2.046603 2.328879 0.642761
O 4.552665 1.020562 0.089708
O 5.748365 -1.485626 -0.152700
N 0.086648 1.127445 0.289792
C -0.660772 2.372217 0.614563
C -1.878632 2.508251 -0.310505
C -0.634115 -0.058315 0.046674
C -2.757525 1.276251 -0.184452
C -2.115483 0.017749 0.022517
C 1.514493 1.211065 0.330168
C 0.074847 -1.227203 -0.171809
C 2.257077 -0.032812 0.034255
C 1.512644 -1.255647 -0.156412
C -4.172612 1.374543 -0.265819
C -2.900268 -1.170559 0.174242
C -4.910490 0.197387 -0.143375
C -4.281269 -1.048001 0.077740
C 3.695300 -0.082950 0.000533
C 2.205029 -2.489054 -0.332205
C 4.353023 -1.343794 -0.099437
C 3.600190 -2.532617 -0.278098
C -6.551664 -1.421865 -0.088784
C 4.443392 2.091102 -0.926945
C 6.544568 -0.895599 0.947436
H 0.051778 3.204327 0.507287
H -0.984378 2.333922 1.673233
H -1.531393 2.635647 -1.355783
H -2.442407 3.419295 -0.041533
H -0.460458 -2.152911 -0.392234
H -4.662686 2.340251 -0.416606
H -2.442549 -2.138955 0.385742
H 1.628491 -3.407017 -0.489712
H 4.153639 -3.469632 -0.392875
H -6.893122 -1.769105 -1.081630
H -7.271246 -1.636328 0.716122
H 3.620895 2.771324 -0.656766
H 4.289523 1.651674 -1.930381
H 5.413808 2.610786 -0.890486
H 6.272119 -1.372969 1.908573
H 6.385775 0.192562 1.005937
H 7.589999 -1.130574 0.695958


