%chk=000232623.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232623

0 1
S -0.664710 -1.079785 -0.614247
O -1.472013 -0.279294 -1.513971
O -0.505576 -2.497225 -0.866265
O 5.673518 0.822585 0.160180
O 4.894408 2.582827 -0.829205
N -1.204131 -0.926088 1.006592
N 4.777291 1.463803 -0.360464
C -1.446982 0.443090 1.530614
C -2.103670 -1.998999 1.510541
C -2.585760 1.220433 0.852576
C -3.586243 -1.899611 1.120504
C -2.713977 2.632615 1.433910
C -3.867066 -2.267000 -0.341603
C 0.922599 -0.337858 -0.532719
C -3.845154 3.410883 0.766093
C -5.357803 -2.484742 -0.590463
C 1.981135 -1.034968 0.051081
C 1.112372 0.935117 -1.075152
C 3.251203 -0.450088 0.111054
C 2.374887 1.533303 -1.023972
C 3.429014 0.830846 -0.425347
H -0.490721 1.009656 1.444405
H -1.649771 0.361987 2.624351
H -2.020212 -2.001341 2.622805
H -1.685280 -2.979229 1.168623
H -2.432246 1.271262 -0.248201
H -3.544141 0.666546 0.973864
H -4.165630 -2.569625 1.787421
H -3.969704 -0.874658 1.324049
H -1.760759 3.183081 1.307963
H -2.893160 2.580239 2.526053
H -3.303322 -3.179786 -0.624059
H -3.496403 -1.464695 -1.016182
H -3.689290 3.501673 -0.315870
H -4.815217 2.921908 0.912605
H -3.923907 4.425372 1.172682
H -5.752019 -3.318824 0.000276
H -5.944849 -1.593962 -0.341289
H -5.547002 -2.714260 -1.646267
H 1.829170 -2.042491 0.456428
H 0.275885 1.464285 -1.552200
H 4.096095 -0.979778 0.565129
H 2.546043 2.530495 -1.444422


%chk=000232623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232623

0 1
S -0.638545 -1.045482 -0.762045
O -1.397985 -0.096662 -1.860998
O -0.465687 -2.647087 -1.011428
O 5.879244 0.662980 0.363875
O 5.192870 2.509546 -0.786992
N -1.250070 -0.874419 0.973508
N 4.984150 1.351154 -0.259639
C -1.556776 0.516774 1.390800
C -2.014330 -2.044557 1.478909
C -2.798158 1.242846 0.807975
C -3.539291 -2.123668 1.221607
C -2.891062 2.687282 1.353365
C -3.939393 -2.181961 -0.269812
C 1.093561 -0.294589 -0.574322
C -4.114300 3.449808 0.800194
C -5.458444 -2.378974 -0.460683
C 2.076754 -1.045528 0.092608
C 1.330427 0.957950 -1.163163
C 3.371528 -0.498609 0.196442
C 2.625879 1.507096 -1.058943
C 3.617027 0.770232 -0.375810
H -0.657104 1.131981 1.181221
H -1.639239 0.464113 2.496273
H -1.816537 -2.056884 2.570538
H -1.525762 -2.939553 1.048435
H -2.725935 1.261533 -0.295188
H -3.724015 0.695978 1.064941
H -3.891806 -3.049679 1.723117
H -4.062710 -1.286964 1.724558
H -1.964466 3.239747 1.093051
H -2.939736 2.665295 2.462025
H -3.387128 -3.006493 -0.762014
H -3.623528 -1.254418 -0.785853
H -4.074937 3.513429 -0.303007
H -5.056838 2.939080 1.072508
H -4.160914 4.479783 1.198247
H -5.801973 -3.319655 0.010322
H -6.030213 -1.547677 -0.005413
H -5.722724 -2.421606 -1.532663
H 1.839783 -2.030406 0.505554
H 0.525670 1.466704 -1.703558
H 4.182098 -1.028516 0.702805
H 2.877514 2.477774 -1.493445


