%chk=000210037.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210037

0 1
S 3.380015 0.534033 -0.063018
O 3.896593 0.589916 -1.420520
O 3.803206 1.525538 0.913173
O -3.209669 1.740816 -0.813424
N -3.380558 -0.343352 0.084715
C 3.734298 -1.074693 0.631820
C 1.634329 0.577698 -0.144325
C 5.231381 -1.141644 0.911469
C 3.285980 -2.162799 -0.333794
C -1.145155 0.662170 -0.278966
C 0.986433 0.238770 -1.333730
C 0.898203 0.996529 0.966228
C -2.647381 0.751873 -0.369016
C -0.410326 0.272900 -1.404491
C -0.498311 1.032959 0.906359
C -4.868838 -0.295483 0.014746
C -2.761750 -1.599614 0.574890
C -5.480828 0.023741 1.376816
C -2.492538 -2.582689 -0.564229
H 3.191155 -1.201800 1.601430
H 5.504511 -2.089919 1.391595
H 5.829337 -1.068184 -0.009069
H 5.559436 -0.333273 1.583834
H 3.599046 -3.154903 0.020847
H 3.734857 -2.035338 -1.332232
H 2.196794 -2.196436 -0.452751
H 1.570507 -0.037914 -2.219561
H 1.411063 1.316006 1.880352
H -0.920482 0.023763 -2.335264
H -1.077337 1.369029 1.766642
H -5.163439 0.490505 -0.725825
H -5.245933 -1.267130 -0.370515
H -1.814773 -1.365964 1.112314
H -3.440758 -2.062095 1.327723
H -5.229676 -0.725647 2.134318
H -5.132586 0.996617 1.750442
H -6.574057 0.076160 1.309530
H -3.406721 -2.822265 -1.121251
H -1.774087 -2.178900 -1.288110
H -2.083938 -3.525279 -0.182752


%chk=000210037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210037

0 1
S 3.440716 0.647285 0.197856
O 4.039526 1.201691 -1.225505
O 3.706084 1.425645 1.618328
O -3.191116 1.268056 -1.316142
N -3.519907 -0.492851 0.172142
C 4.111758 -1.224874 0.439300
C 1.561216 0.495757 -0.008345
C 5.518901 -1.078426 1.015485
C 4.007111 -1.919071 -0.914659
C -1.207792 0.345167 -0.309298
C 1.034730 0.440482 -1.309881
C 0.764954 0.526888 1.147868
C -2.705708 0.392523 -0.524962
C -0.367836 0.374819 -1.452106
C -0.635489 0.439211 0.987097
C -4.990464 -0.300886 0.041131
C -3.054930 -1.742696 0.822197
C -5.521234 0.759878 1.027081
C -3.179162 -2.977029 -0.100292
H 3.390296 -1.602943 1.185536
H 5.896887 -2.076115 1.308388
H 6.211056 -0.652083 0.268196
H 5.517708 -0.428259 1.907370
H 4.446159 -2.931646 -0.837226
H 4.571024 -1.355652 -1.679449
H 2.961411 -2.026177 -1.252550
H 1.704236 0.493206 -2.175148
H 1.226715 0.656437 2.132521
H -0.825498 0.375814 -2.446292
H -1.285539 0.488434 1.867802
H -5.207746 0.015808 -0.994038
H -5.478050 -1.276208 0.216966
H -2.004603 -1.625391 1.129303
H -3.649753 -1.894201 1.743180
H -5.309702 0.478490 2.074753
H -5.052102 1.736720 0.821241
H -6.615082 0.873295 0.914271
H -4.219498 -3.128937 -0.439129
H -2.541197 -2.859798 -0.994156
H -2.860076 -3.888662 0.437565


