%chk=000208582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208582

0 1
S 5.288571 0.528554 -0.706743
O 4.174095 1.202312 0.379054
O -4.797676 3.575884 -0.875525
O 6.349709 1.763370 -0.382480
O 5.797243 -0.683244 -0.178188
O 4.792541 0.652916 -2.031977
N -1.293218 -1.994305 -1.024541
C -1.229424 -0.448717 0.920937
C 0.216768 -0.032759 0.723803
C -2.186675 0.622710 0.434585
C -1.533973 -1.806978 0.301683
C 1.013644 0.189014 1.859981
C 0.769863 0.146822 -0.554373
C -2.911343 1.360067 1.382144
C -2.355437 0.900376 -0.934688
C -2.058579 -2.836280 1.112516
C 2.347874 0.577158 1.731811
C 2.100137 0.539345 -0.710155
C 2.865788 0.746217 0.441853
C -3.800211 2.362781 0.985319
C -3.233974 1.891828 -1.358131
C -3.947673 2.612649 -0.385096
C -2.332903 -4.078126 0.537233
C -1.564464 -3.208934 -1.569718
C -2.083906 -4.277808 -0.824234
H -1.394111 -0.564857 2.032210
H 0.595560 0.056871 2.857955
H 0.153717 -0.028593 -1.443614
H -2.786611 1.158581 2.446126
H -1.789911 0.327907 -1.678049
H -2.249039 -2.666982 2.169076
H 2.977636 0.751834 2.601127
H 2.518874 0.687595 -1.709320
H -4.356821 2.929386 1.723370
H -3.378448 2.118856 -2.412148
H -2.738251 -4.886804 1.145866
H -1.351131 -3.308710 -2.640731
H -2.286758 -5.235546 -1.295750
H -5.271247 4.056401 -0.154282
H 6.004164 2.479411 0.194096


%chk=000208582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208582

0 1
S 5.656074 0.205285 -0.278421
O 4.053781 1.485532 0.419052
O -4.954173 3.706188 -0.772038
O 6.488291 1.765805 -0.784331
O 6.666273 -0.539133 0.737668
O 5.129929 -0.599523 -1.582409
N -1.297331 -1.969461 -1.112772
C -1.316670 -0.477517 0.884380
C 0.131446 0.010029 0.727820
C -2.307732 0.613037 0.427266
C -1.544950 -1.846209 0.228195
C 0.939987 0.179135 1.890995
C 0.685075 0.314235 -0.551861
C -2.813140 1.520855 1.391775
C -2.704860 0.776035 -0.926743
C -1.992485 -2.943191 1.006914
C 2.263408 0.629164 1.792104
C 2.003235 0.772208 -0.667868
C 2.806742 0.960977 0.507114
C -3.694982 2.560547 1.029031
C -3.587146 1.805751 -1.303120
C -4.080865 2.701271 -0.325885
C -2.186192 -4.198285 0.388601
C -1.487093 -3.184257 -1.700079
C -1.926113 -4.326795 -0.994126
H -1.486127 -0.624624 1.967371
H 0.519870 -0.055769 2.876144
H 0.074090 0.159071 -1.443850
H -2.514870 1.418926 2.442506
H -2.331267 0.075859 -1.680541
H -2.185501 -2.813229 2.076973
H 2.899727 0.754429 2.674229
H 2.445787 0.992140 -1.644549
H -4.077063 3.250357 1.792647
H -3.902901 1.932951 -2.342748
H -2.529431 -5.057369 0.974480
H -1.273914 -3.235434 -2.773816
H -2.056510 -5.280725 -1.513836
H -5.239710 4.288559 -0.024776
H 5.761714 2.453377 -0.700494


