%chk=000267792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267792

0 1
S -2.797098 2.093336 0.152960
O -2.645174 2.941192 -1.006663
O -3.897468 2.284708 1.074494
O -0.295867 0.158280 2.210983
N -1.397812 2.371030 1.189860
N -0.229359 1.801677 0.634003
N 2.036169 -1.041308 2.904508
C 3.405299 0.172434 -0.890387
C 1.666731 0.224298 0.838144
C 4.202594 -0.675622 -0.061957
C 2.452019 -0.644743 1.645300
C 2.170052 0.596707 -0.430422
C -2.728207 0.444910 -0.338595
C 3.726775 -1.076265 1.175034
C 0.357651 0.685146 1.311115
C 3.893915 0.596395 -2.238228
C 5.543736 -1.136791 -0.529399
C -3.136603 -0.570010 0.533614
C -2.271934 0.117137 -1.621445
C -2.624971 -2.236577 -1.153114
C -3.086955 -1.905441 0.131521
C -2.218060 -1.213973 -2.030145
C -2.561159 -3.660115 -1.595618
H 1.555157 1.229563 -1.076164
H 4.329118 -1.725451 1.805574
H -1.525777 2.128858 2.197775
H 4.082842 -0.270262 -2.886961
H 3.174255 1.237332 -2.764481
H 4.831392 1.165284 -2.162499
H -3.501609 -0.321442 1.536325
H -1.961719 0.912488 -2.309659
H 6.054850 -1.780110 0.198865
H 5.464622 -1.708026 -1.466547
H 6.209594 -0.283143 -0.728266
H 0.397850 2.546543 0.288390
H -3.404281 -2.687968 0.817835
H -1.862522 -1.462867 -3.027627
H 2.534795 -1.760914 3.396800
H 1.070056 -0.882774 3.195179
H -1.524636 -3.963884 -1.807421
H -2.953909 -4.361010 -0.846764
H -3.138251 -3.820421 -2.518716


%chk=000267792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267792

0 1
S -1.930758 1.313614 -0.269228
O -0.490932 1.025984 -1.050026
O -2.906264 2.523990 -0.796886
O 0.425080 -0.753777 1.859711
N -0.876471 1.676249 1.820780
N 0.400305 1.508972 1.408599
N 2.821201 -1.994270 1.765428
C 4.114217 1.200557 -0.741462
C 2.369045 0.179481 0.703243
C 5.006159 0.122071 -0.396604
C 3.239230 -0.937395 0.983760
C 2.828235 1.200378 -0.185799
C -2.950878 -0.279029 -0.418631
C 4.558438 -0.914114 0.437069
C 1.045959 0.231809 1.316366
C 4.547454 2.291582 -1.702795
C 6.413328 0.086018 -0.959554
C -4.299100 -0.155698 -0.786739
C -2.331682 -1.513871 -0.158875
C -4.483396 -2.613599 -0.668079
C -5.059835 -1.340807 -0.913377
C -3.113936 -2.681295 -0.290781
C -5.306140 -3.882791 -0.801228
H 2.124427 1.975879 -0.511133
H 5.234592 -1.747102 0.667028
H -1.157616 0.746574 2.234069
H 4.821956 1.880170 -2.693197
H 3.739430 3.025331 -1.861804
H 5.433090 2.840726 -1.328633
H -4.724138 0.834695 -0.981335
H -1.276850 -1.567132 0.133634
H 6.974424 -0.790106 -0.594404
H 6.402052 0.047015 -2.065763
H 6.980299 0.995185 -0.682719
H 0.846384 2.340148 1.015970
H -6.113363 -1.272183 -1.207980
H -2.654095 -3.658020 -0.098269
H 3.464424 -2.745092 2.002692
H 1.840062 -2.016019 2.066288
H -5.383927 -4.412395 0.166986
H -6.330240 -3.667901 -1.149997
H -4.844068 -4.585627 -1.519124


