%chk=000132445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000132445

0 1
S -2.374810 3.189758 -0.819711
S -1.318418 -1.208666 0.392438
O 1.542082 3.725124 2.009953
O 1.259934 1.252759 1.339881
O -0.065990 -0.484990 1.801619
N -0.759481 3.081470 1.457698
N 0.645664 3.366547 -1.303212
N 3.626636 0.453304 -1.063432
N -1.858795 -2.926549 -1.713644
N -3.302036 -1.241732 -1.636558
N -2.717313 -3.027744 -2.791539
N -3.551777 -2.030718 -2.714580
C -1.218205 3.971259 0.319258
C 0.259438 4.175758 -0.136595
C 0.625227 3.532636 1.286949
C -1.054290 1.685484 1.383023
C -2.273117 1.225195 1.013628
C -3.271471 2.111485 0.354551
C 1.687476 2.473011 -1.270282
C -2.643202 -0.203994 1.199145
C 0.144649 0.745007 1.559711
C 1.684887 1.350718 -2.162530
C 2.821254 2.623471 -0.411208
C 2.615650 0.349895 -2.011353
C 3.725172 1.597941 -0.276328
C 4.473023 -0.742091 -0.758894
C -2.233587 -1.785841 -0.984098
C 3.635131 -1.885513 -0.235617
C 3.893430 -3.186804 -0.695297
C 2.628640 -1.660002 0.709986
C -0.798282 -3.900014 -1.434527
C 3.142331 -4.255603 -0.202187
C 1.870674 -2.734665 1.188354
C 2.128102 -4.031058 0.737495
H -1.672208 4.902658 0.732563
H 0.582823 5.226669 -0.272163
H -0.128385 3.169218 -1.957382
H -3.844446 2.725293 1.076723
H -4.007168 1.533340 -0.254253
H -2.635836 -0.482796 2.275511
H -3.640410 -0.461905 0.797495
H 0.892661 1.242312 -2.908828
H 2.931737 3.517423 0.216297
H 2.581688 -0.569618 -2.615059
H 4.542827 1.643640 0.457250
H 5.030468 -1.029281 -1.681700
H 5.244449 -0.471955 0.003142
H 4.677572 -3.371707 -1.425412
H 2.391844 -0.649106 1.082414
H -1.069263 -4.522505 -0.560002
H -0.644676 -4.568302 -2.301807
H 0.154939 -3.385319 -1.206639
H 3.347366 -5.267352 -0.548608
H 1.066388 -2.528970 1.908350
H 1.544901 -4.867171 1.120613


%chk=000132445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132445

0 1
S -2.363550 2.702966 -1.194556
S -2.080949 -1.636257 -0.492571
O 1.371720 3.714191 1.992911
O 1.297247 0.954825 1.165271
O 0.052224 -0.538658 2.458307
N -0.756443 2.750770 1.187183
N 0.732362 2.908782 -1.351133
N 4.179904 0.590753 -0.920149
N -3.963018 -2.481232 -2.375369
N -4.689906 -0.743839 -1.186819
N -5.261191 -2.174932 -2.853482
N -5.678570 -1.131038 -2.116737
C -1.239581 3.596965 0.004971
C 0.268346 3.883127 -0.347244
C 0.546372 3.382987 1.130531
C -1.036049 1.395509 1.411742
C -2.256792 0.877516 1.006328
C -3.239464 1.758875 0.291809
C 1.922846 2.241082 -1.294358
C -2.552383 -0.578436 1.118141
C 0.208464 0.521088 1.749563
C 2.100924 1.036217 -2.057180
C 3.023859 2.667454 -0.480706
C 3.198974 0.228641 -1.823364
C 4.101990 1.819217 -0.293380
C 5.202098 -0.418876 -0.504054
C -3.638097 -1.598017 -1.369229
C 4.574134 -1.608256 0.225042
C 5.188889 -2.881400 0.122478
C 3.414629 -1.446064 1.024824
C -3.196543 -3.593116 -2.935047
C 4.656772 -3.983261 0.829654
C 2.878383 -2.554187 1.720571
C 3.500621 -3.820943 1.630020
H -1.753813 4.498151 0.370558
H 0.549017 4.921242 -0.590078
H -0.044044 2.439754 -1.846453
H -3.642971 2.579939 0.906962
H -4.052300 1.187074 -0.184484
H -1.924060 -1.061707 1.882212
H -3.623823 -0.793148 1.244292
H 1.325488 0.691869 -2.746457
H 2.982777 3.590763 0.098731
H 3.314849 -0.749366 -2.294502
H 4.910903 2.064510 0.397179
H 5.756305 -0.757835 -1.399225
H 5.920789 0.109409 0.149202
H 6.081265 -3.015438 -0.503457
H 2.883188 -0.485773 1.110092
H -2.788143 -4.214799 -2.120235
H -3.877644 -4.193095 -3.555762
H -2.363224 -3.224768 -3.558031
H 5.137474 -4.964887 0.749399
H 1.970510 -2.396865 2.314721
H 3.085130 -4.678082 2.171969


