%chk=000275935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275935

0 1
S 1.931002 0.165539 -0.924020
S 0.620892 1.644484 1.469758
O 1.436389 -0.836136 -1.845053
O 2.059529 1.537962 -1.372755
O -0.103076 1.159088 2.626444
O 1.985817 2.107607 1.644097
N 0.809109 0.285117 0.395057
C 0.089239 -0.920018 0.764114
C -1.143380 -1.195641 0.287192
C 3.397762 -0.398228 -0.227558
C -0.321423 2.809124 0.641706
C 0.804389 -1.782835 1.755898
C -1.868763 -2.425992 0.691649
C -1.905950 -0.342008 -0.652350
C 3.840602 -1.696038 -0.522235
C -1.643132 3.037054 1.053327
C 4.159173 0.429149 0.603837
C 0.217641 3.550208 -0.416024
C -2.026979 -3.475537 -0.226139
C -3.041359 0.343510 -0.189652
C -2.410297 -2.532738 1.982231
C -1.535099 -0.251098 -2.001621
C 5.038168 -2.165646 0.017024
C -2.418464 4.005941 0.415639
C 5.361683 -0.042039 1.144277
C -0.561135 4.519704 -1.057749
C -2.721476 -4.627864 0.150552
C -3.791152 1.123582 -1.073123
C -3.105811 -3.687344 2.349434
C -2.289675 0.532502 -2.878188
C 5.799604 -1.335525 0.851603
C -1.875968 4.745983 -0.643445
C -3.261362 -4.735776 1.436472
C -3.416506 1.221064 -2.417363
H 0.612997 -1.410028 2.779626
H 1.893028 -1.792487 1.619709
H 0.462900 -2.827692 1.724698
H 3.246778 -2.341166 -1.181530
H -2.067338 2.455433 1.880356
H 3.814968 1.449034 0.849410
H 1.250803 3.370250 -0.757460
H -1.610644 -3.384037 -1.229037
H -3.338248 0.255079 0.853732
H -2.285102 -1.714974 2.691374
H -0.651621 -0.791235 -2.363298
H 5.382774 -3.172739 -0.211723
H -3.443569 4.182021 0.735735
H 5.950180 0.604591 1.794650
H -0.139035 5.089437 -1.884658
H -2.844590 -5.442315 -0.561238
H -4.671154 1.653201 -0.714651
H -3.528145 -3.769806 3.349363
H -1.995973 0.605195 -3.924235
H 6.736724 -1.702823 1.272433
H -2.483872 5.499546 -1.145747
H -3.803693 -5.633254 1.725523
H -4.001964 1.828216 -3.103469


%chk=000275935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275935

0 1
S 2.754631 -2.127635 -0.851553
S 0.650554 1.233242 0.912003
O 2.718936 -3.408446 0.157366
O 2.964689 -2.373863 -2.454496
O -1.033868 0.549088 0.175621
O 1.081050 0.476131 2.312489
N 1.152063 -1.022455 -0.508450
C 0.016174 -1.614890 -0.753459
C -1.266417 -0.813192 -0.353281
C 4.051710 -0.887051 -0.277619
C -0.340402 2.706959 1.555551
C -0.180052 -3.015325 -1.305053
C -1.943252 -1.673115 0.745261
C -2.133541 -0.509087 -1.588439
C 4.006747 -0.433170 1.050821
C -0.965271 3.568381 0.631210
C 5.028649 -0.510077 -1.212156
C -0.384742 2.923421 2.944285
C -2.995822 -2.575429 0.447143
C -3.470439 -0.072058 -1.396695
C -1.447700 -1.606476 2.072230
C -1.593603 -0.513217 -2.898907
C 5.022534 0.461761 1.460765
C -1.662140 4.693775 1.127876
C 6.038710 0.378856 -0.776221
C -1.084849 4.051814 3.427300
C -3.560944 -3.379511 1.461972
C -4.258432 0.324766 -2.497184
C -2.011319 -2.414402 3.082852
C -2.385043 -0.123029 -4.001261
C 6.034647 0.859650 0.554446
C -1.719763 4.934990 2.521526
C -3.071907 -3.301556 2.785120
C -3.721244 0.294914 -3.805712
H 0.045246 -3.751577 -0.512152
H 0.521148 -3.200973 -2.138045
H -1.211197 -3.173124 -1.650686
H 3.202151 -0.724570 1.733269
H -0.933174 3.358471 -0.442796
H 4.995345 -0.900482 -2.234576
H 0.113121 2.212432 3.613385
H -3.385581 -2.648192 -0.573840
H -3.882039 -0.029132 -0.383337
H -0.622278 -0.928064 2.322614
H -0.552330 -0.811005 -3.067683
H 5.015230 0.846054 2.485792
H -2.161329 5.374273 0.429882
H 6.821948 0.691822 -1.474392
H -1.134894 4.240341 4.505100
H -4.379615 -4.065304 1.216729
H -5.288027 0.661736 -2.333888
H -1.618112 -2.351676 4.103573
H -1.956658 -0.140543 -5.009382
H 6.819631 1.548689 0.884846
H -2.260007 5.809476 2.900944
H -3.508488 -3.925302 3.573180
H -4.334237 0.599483 -4.661285


