%chk=000273250.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273250

0 1
S 0.378176 -1.069586 0.093726
O -5.230443 0.684393 0.018220
N -2.955652 1.167280 -0.003136
N -1.632906 0.794997 0.032613
N -3.728821 -1.116280 0.026562
N -2.159387 -2.837303 0.067555
C 2.776988 0.378976 0.000922
C 1.291607 0.624534 0.072794
C -1.359701 -0.507231 0.058164
C 3.422805 0.229617 -1.254266
C 3.552936 0.296252 1.186313
C -2.443552 -1.495622 0.051201
C 4.815525 0.007474 -1.323481
C 4.946279 0.073909 1.119116
C -4.067138 0.238625 0.015013
C 5.581220 -0.071048 -0.136367
C -3.221807 2.615483 -0.003551
H 0.980012 1.146575 0.990132
H 0.894294 1.163817 -0.800544
H 2.830937 0.287501 -2.175631
H 3.062772 0.407436 2.161066
H 5.303024 -0.102363 -2.298449
H 5.534677 0.015939 2.041424
H 6.662132 -0.242015 -0.189503
H -4.157792 2.796689 -0.552463
H -2.374758 3.127093 -0.484060
H -3.347133 2.991522 1.027983
H -1.204815 -3.190384 0.089497
H -2.946178 -3.485578 0.060652


%chk=000273250-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273250

0 1
S 0.378619 -1.069309 0.074730
O -5.246587 0.689875 0.063285
N -2.956056 1.168090 0.012938
N -1.633051 0.794970 0.035713
N -3.729090 -1.117915 0.039547
N -2.157598 -2.838065 0.054791
C 2.777247 0.378800 -0.022325
C 1.290932 0.624720 0.024782
C -1.359700 -0.507365 0.053372
C 3.441414 0.213652 -1.265887
C 3.535859 0.311393 1.175225
C -2.443188 -1.496294 0.049584
C 4.835113 -0.008866 -1.311970
C 4.930055 0.088784 1.131173
C -4.069844 0.238928 0.038253
C 5.583391 -0.071925 -0.112950
C -3.221885 2.616317 0.022708
H 0.966787 1.167526 0.925528
H 0.905287 1.143463 -0.866088
H 2.863168 0.259804 -2.196538
H 3.031457 0.434376 2.141232
H 5.336754 -0.130904 -2.278275
H 5.504919 0.042754 2.062653
H 6.665001 -0.243125 -0.148080
H -4.154778 2.803151 -0.529677
H -2.371940 3.131006 -0.449209
H -3.352702 2.984193 1.056534
H -1.202490 -3.190335 0.059460
H -2.943794 -3.486994 0.050994


