%chk=000052845.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052845

0 1
 O   0.3202000     -3.5700001E-02  0.7678000    
 O  -0.1312000      0.1068000      -1.517700    
 N    3.921700     -3.9099999E-02 -2.0800000E-02
 C    1.511100      0.3208000      6.4900003E-02
 C  -0.7461000      1.8500000E-02 -0.2099000    
 C    2.724800     -0.2882000      0.7328000    
 C    1.247600     -0.2007000      -1.320300    
 C   -1.605600       1.257400      3.6300000E-02
 C   -1.584000      -1.256100     -0.1217000    
 C    5.100500     -0.6323000      0.6309000    
 C    4.143900       1.403000     -0.2149000    
 C   -1.765400       1.753400       1.332100    
 C   -2.203000      -1.768400      -1.264100    
 C   -2.234800       1.898200      -1.033300    
 C   -1.734200      -1.913100       1.101500    
 C    4.958800      -2.133700      0.7734000    
 C    5.405900       1.667900      -1.009600    
 C   -2.550100       2.884500       1.557100    
 C   -2.968000      -2.931900      -1.183800    
 C   -3.019500       3.029200     -0.8084000    
 C   -2.499300      -3.076700       1.181800    
 C   -3.177200       3.522400      0.4868000    
 C   -3.116200      -3.586200      3.9200000E-02
 H    1.530600       1.416400      7.9400003E-02
 H    2.522300      -1.361100      0.8352000    
 H    2.797400      9.4200000E-02   1.760500    
 H    1.852200      0.2754000      -2.096300    
 H    1.363300      -1.288300      -1.391100    
 H    5.997600     -0.4916000      2.0199999E-02
 H    5.291800     -0.1805000       1.612300    
 H    3.336000       1.845700     -0.8049000    
 H    4.189300       1.938600      0.7418000    
 H   -1.294700       1.270300       2.183900    
 H   -2.110500      -1.273300      -2.226800    
 H   -2.135200       1.529300      -2.050400    
 H   -1.271300      -1.532500       2.007700    
 H    4.249100      -2.414100       1.557700    
 H    4.650700      -2.603300     -0.1672000    
 H    5.923600      -2.570400       1.055200    
 H    6.314200       1.545500     -0.4114000    
 H    5.471400       1.031500      -1.898900    
 H    5.407200       2.707700      -1.357000    
 H   -2.674800       3.267400       2.565800    
 H   -3.450200      -3.327400      -2.072900    
 H   -3.509800       3.524800      -1.641300    
 H   -2.616600      -3.585100       2.134400    
 H   -3.789100       4.402400      0.6621000    
 H   -3.712800      -4.491600      0.1019000    


%chk=000052845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052845

0 1
O 0.284734 1.077623 0.654714
O -0.192772 0.585107 -1.591367
N 3.871102 -0.078990 0.156080
C 1.594219 0.910634 -0.047019
C -0.786092 0.540732 -0.244768
C 2.554978 0.085836 0.827940
C 1.229309 0.229441 -1.389923
C -1.977323 1.495658 -0.197894
C -1.118758 -0.909625 0.140908
C 4.526190 -1.379482 0.470245
C 4.770436 1.088525 0.381660
C -3.003590 1.318968 0.760820
C -1.732233 -1.756472 -0.815833
C -2.029915 2.605664 -1.076162
C -0.851317 -1.405419 1.438785
C 3.872614 -2.576610 -0.245189
C 5.826770 1.260298 -0.726109
C -4.065805 2.246286 0.847639
C -2.064684 -3.086818 -0.479180
C -3.097375 3.525469 -0.996362
C -1.186758 -2.737114 1.776710
C -4.117050 3.351975 -0.031097
C -1.793660 -3.581502 0.818958
H 1.991174 1.929302 -0.215566
H 2.101126 -0.906716 0.992076
H 2.647659 0.570683 1.828779
H 1.782764 0.619159 -2.254878
H 1.350421 -0.869097 -1.326380
H 5.579017 -1.309106 0.142087
H 4.550167 -1.564743 1.574311
H 4.142508 1.998317 0.412958
H 5.273362 1.021820 1.379797
H -2.976739 0.457604 1.436420
H -1.932599 -1.368368 -1.820253
H -1.237513 2.728081 -1.819904
H -0.377116 -0.741697 2.169445
H 2.824196 -2.729641 0.069393
H 3.882449 -2.416867 -1.337712
H 4.425535 -3.507278 -0.018432
H 6.504040 0.389810 -0.790562
H 5.334252 1.380215 -1.706876
H 6.448808 2.153397 -0.529629
H -4.853622 2.102703 1.595677
H -2.533857 -3.737223 -1.226161
H -3.134234 4.377765 -1.684386
H -0.975620 -3.112943 2.784416
H -4.944057 4.068466 0.032167
H -2.053540 -4.613830 1.079656


