%chk=000217037.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217037

0 1
S 1.957761 0.562887 -0.725535
O 3.385108 0.695641 -0.969059
O 1.059634 0.963047 -1.797521
N -0.697167 -0.598679 0.368149
N -3.356237 0.543087 0.407245
N 0.215646 -2.820505 0.649384
N 1.591954 1.459985 0.689306
C -1.681731 -0.966818 1.445491
C -1.431833 -0.305428 -0.914193
C -2.621219 0.232081 1.677491
C -2.377770 0.885259 -0.677558
C 0.392030 -1.526519 0.215752
C -4.314799 1.667333 0.620169
C 1.636677 -1.073848 -0.266775
C 2.701838 -1.984970 -0.328232
C 1.260237 -3.677602 0.586300
C 2.522047 -3.301122 0.090364
C 2.119840 2.847783 0.730428
C 1.314721 3.829645 -0.119978
H -1.125629 -1.201772 2.377639
H -2.272523 -1.873219 1.179685
H -2.009394 -1.190812 -1.260267
H -0.700398 -0.038386 -1.719184
H -3.370514 -0.043474 2.451521
H -2.045336 1.096730 2.071615
H -1.784743 1.801108 -0.464091
H -2.949003 1.079307 -1.612206
H -3.858624 2.618554 0.930542
H -5.052581 1.369677 1.382939
H -4.874776 1.840144 -0.313734
H 3.682893 -1.651809 -0.699548
H 0.619166 1.407109 1.030498
H 3.335507 -4.020443 0.043743
H 1.066167 -4.699125 0.941110
H 2.125431 3.174678 1.795869
H 3.188940 2.835082 0.404825
H 1.232001 3.494691 -1.166033
H 0.294124 3.960551 0.253697
H 1.788657 4.817554 -0.138152


%chk=000217037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217037

0 1
S 1.986356 0.597243 -0.919671
O 3.598328 0.697812 -1.115028
O 1.060366 1.105023 -2.174245
N -0.770010 -0.735474 0.340445
N -3.317977 0.627727 0.394853
N 0.300809 -2.790020 0.896491
N 1.618263 1.435239 0.699626
C -1.781694 -1.059461 1.384422
C -1.433650 -0.295547 -0.930842
C -2.653635 0.181342 1.638827
C -2.320418 0.925925 -0.657131
C 0.360298 -1.571310 0.267148
C -4.258277 1.741540 0.619074
C 1.582929 -1.193160 -0.364608
C 2.675159 -2.063572 -0.447653
C 1.367494 -3.633183 0.841492
C 2.559353 -3.344943 0.142494
C 2.075147 2.852803 0.745788
C 1.210317 3.866165 -0.034859
H -1.260006 -1.364668 2.305438
H -2.418253 -1.907336 1.059134
H -2.065154 -1.128495 -1.307630
H -0.676075 -0.035316 -1.686521
H -3.428888 -0.072984 2.385459
H -2.011331 0.991688 2.078227
H -1.665459 1.793382 -0.376070
H -2.850390 1.198987 -1.587863
H -3.760580 2.673198 0.991331
H -5.020949 1.441640 1.359765
H -4.776281 1.985999 -0.325276
H 3.606775 -1.715154 -0.907894
H 0.596890 1.299391 0.851526
H 3.380435 -4.065229 0.103778
H 1.249368 -4.577669 1.384788
H 2.108262 3.105823 1.823535
H 3.120326 2.862585 0.386003
H 1.184428 3.612935 -1.108993
H 0.169857 3.879105 0.342039
H 1.623970 4.885372 0.074298


