%chk=000200836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200836

0 1
S 2.373645 -0.147864 -2.303976
P 2.475170 -0.113005 -0.415213
O 1.410733 -1.121151 0.380104
O 3.861027 -0.595441 0.297126
O 2.195232 1.305598 0.350191
O -4.744822 -1.655702 0.706669
O -4.736294 -0.465573 -1.092887
N -2.737994 1.531513 0.117985
N -4.177368 -1.003162 -0.152048
C -2.000769 0.302528 0.030433
C 0.049530 -0.977263 0.190994
C -2.705126 -0.924080 -0.063018
C -0.595653 0.256383 0.164794
C -0.645230 -2.201209 0.112687
C -2.024327 -2.157935 -0.002357
C -2.050365 2.624024 0.863719
C -3.272763 2.017488 -1.187161
C 4.457701 -1.850892 -0.184193
C 3.177075 2.372529 0.104436
C 5.761612 -1.913734 0.584746
C 2.651696 3.511988 0.954002
H -0.028762 1.188456 0.254711
H -0.096970 -3.140373 0.150838
H -2.599367 -3.089605 -0.044702
H -1.705735 2.247223 1.842068
H -2.792041 3.416819 1.066491
H -1.196133 3.076185 0.337049
H -2.518177 2.510389 -1.817950
H -4.091846 2.728302 -0.983699
H -3.714897 1.182873 -1.767341
H 4.617457 -1.796953 -1.278871
H 3.775226 -2.681784 0.078849
H 3.182235 2.621237 -0.974784
H 4.173509 2.025466 0.440877
H 6.283380 -2.862610 0.411579
H 6.437737 -1.095906 0.301450
H 5.586505 -1.815360 1.666830
H 3.343046 4.363385 0.954391
H 1.675757 3.865677 0.596464
H 2.508568 3.191537 1.997219


%chk=000200836-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200836

0 1
S 2.466426 0.352243 -2.232843
P 2.564899 0.007987 -0.205121
O 1.379058 -1.053275 0.515212
O 3.984695 -0.727882 0.420170
O 2.418310 1.360873 0.849264
O -4.852665 -2.076830 -0.115545
O -4.876177 0.055910 0.698690
N -2.640202 1.564711 -0.455402
N -4.252002 -0.962844 0.183028
C -2.070574 0.351171 -0.096552
C -0.015811 -0.953491 0.295494
C -2.798509 -0.892208 0.017574
C -0.653311 0.278601 0.114028
C -0.725248 -2.182101 0.285137
C -2.114882 -2.130804 0.155781
C -1.898882 2.820770 -0.248553
C -3.870634 1.665963 -1.257091
C 4.562161 -1.913006 -0.291766
C 3.383445 2.495274 0.673370
C 5.944318 -2.137250 0.311704
C 2.871548 3.627505 1.556753
H -0.049682 1.188205 0.090915
H -0.187560 -3.123728 0.414462
H -2.720222 -3.039797 0.199815
H -1.399703 2.823916 0.735576
H -2.614236 3.658942 -0.263285
H -1.137451 2.996949 -1.037318
H -3.747663 2.482842 -1.991242
H -4.761307 1.853997 -0.630335
H -4.043152 0.730134 -1.815411
H 4.608738 -1.692577 -1.375667
H 3.890801 -2.774040 -0.119620
H 3.410793 2.779160 -0.396717
H 4.382756 2.143500 0.987269
H 6.413356 -3.022558 -0.155878
H 6.595305 -1.263803 0.138482
H 5.872121 -2.313843 1.397951
H 3.561259 4.489262 1.493313
H 1.869549 3.958110 1.233489
H 2.812537 3.304011 2.609370


