%chk=000094020.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094020

0 1
 N  -0.6546000      0.2954000      0.9258000    
 C  -0.3747000     -0.5465000     -0.2504000    
 C   0.5304000      0.8885000       1.567900    
 C   0.8128000      -1.478800     -9.7400002E-02
 C    1.605100       1.401800      0.6294000    
 C    2.133600     -0.9627000     -7.4299999E-02
 C    2.382500      0.4971000     -0.1370000    
 C   -1.651200       1.313800      0.5907000    
 C   -2.950400      0.7006000      0.1405000    
 C   0.5968000      -2.862400      3.1000001E-03
 C    1.833700       2.783400      0.5326000    
 C    3.201000      -1.872000      4.2500000E-02
 C    3.379000       1.024700     -0.9785000    
 C    1.672300      -3.740100      0.1182000    
 C    2.827300       3.278600     -0.3085000    
 C    2.972200      -3.246100      0.1361000    
 C    3.599500       2.400900      -1.061900    
 C   -3.148200      0.4303000      -1.206400    
 C   -3.932500      0.4145000       1.078700    
 C   -4.352100     -0.1376000      -1.623400    
 C   -5.136300     -0.1536000      0.6617000    
 C   -5.346100     -0.4297000     -0.6894000    
 H  -0.2060000      5.4900002E-02  -1.154800    
 H   -1.241100      -1.184200     -0.4578000    
 H   0.9855000      0.1346000       2.225400    
 H   0.2296000       1.680000       2.267800    
 H   -1.278700       2.002800     -0.1799000    
 H   -1.860700       1.940800       1.468000    
 H  -0.4122000      -3.267000     -1.1800000E-02
 H    1.238800       3.481900       1.115700    
 H    4.229200      -1.517700      7.8400001E-02
 H    3.989400      0.3672000      -1.594300    
 H    1.495500      -4.809000      0.1938000    
 H    2.998100       4.348900     -0.3763000    
 H    3.811400      -3.929500      0.2290000    
 H    4.372300       2.786200      -1.720800    
 H   -2.392600      0.6677000      -1.949500    
 H   -3.779000      0.6233000       2.133700    
 H   -4.517300     -0.3489000      -2.675900    
 H   -5.910100     -0.3813000       1.389000    
 H   -6.283700     -0.8712000      -1.014300    


%chk=000094020-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094020

0 1
N -0.689544 0.324762 0.777088
C -0.295242 -0.626023 -0.309165
C 0.492110 0.909489 1.481302
C 0.878203 -1.525595 0.044694
C 1.606167 1.414265 0.565723
C 2.208512 -0.997242 0.070459
C 2.445466 0.466585 -0.102514
C -1.650303 1.335964 0.268757
C -3.015475 0.733457 -0.060326
C 0.679613 -2.910558 0.254159
C 1.844805 2.797762 0.389100
C 3.298345 -1.883770 0.277641
C 3.512950 0.940972 -0.910021
C 1.770848 -3.782310 0.469557
C 2.905035 3.259115 -0.423271
C 3.086651 -3.265409 0.472262
C 3.744655 2.323630 -1.071469
C -3.746102 1.174731 -1.190275
C -3.589435 -0.249335 0.785886
C -5.032783 0.655644 -1.465797
C -4.871703 -0.772711 0.511438
C -5.600540 -0.319763 -0.614535
H -0.025701 -0.052503 -1.232251
H -1.180030 -1.238125 -0.557502
H 0.899472 0.122483 2.142975
H 0.124761 1.726031 2.128529
H -1.265108 1.875524 -0.633350
H -1.776567 2.095768 1.066146
H -0.342192 -3.307754 0.236185
H 1.202612 3.520235 0.908740
H 4.316029 -1.478551 0.315625
H 4.148629 0.217657 -1.433922
H 1.597140 -4.852227 0.629095
H 3.078212 4.334124 -0.545980
H 3.940464 -3.932061 0.637141
H 4.569153 2.669825 -1.704623
H -3.306674 1.926406 -1.858517
H -3.006880 -0.599551 1.645691
H -5.586625 1.006645 -2.344170
H -5.304367 -1.532482 1.172838
H -6.596065 -0.725504 -0.827942


