%chk=000215248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215248

0 1
S -2.578488 -0.885951 1.211623
O 4.089199 -0.364656 0.244884
O 2.788929 2.205726 -0.121710
O 2.276794 -2.660951 0.587687
N -5.255822 -0.256127 1.038251
N -2.284975 1.012210 -0.515352
N -3.611495 0.926317 -0.344916
C -0.105422 0.019143 0.205082
C 2.703928 -0.231131 0.227522
C 2.088209 1.034448 0.095068
C 1.880504 -1.365731 0.393946
C 0.695235 1.165025 0.071722
C 0.476241 -1.240601 0.380847
C -1.555280 0.158940 0.184074
C -3.995125 -0.018524 0.545599
C -6.426480 0.368332 0.356704
C -6.863266 -0.400909 -0.884778
C 4.688657 -0.150061 -1.067979
C 3.839323 2.500765 0.840406
C 3.695715 -2.948140 0.696763
H 0.247959 2.152126 -0.060755
H -0.121470 -2.145083 0.488378
H -7.246608 0.415861 1.108753
H -6.168819 1.422474 0.087253
H -5.432957 -1.187591 1.418009
H -6.067108 -0.416884 -1.644633
H -7.135371 -1.438663 -0.666794
H -7.734429 0.074550 -1.353601
H 4.444926 0.854253 -1.432725
H 4.338236 -0.914556 -1.765502
H 5.756589 -0.253881 -0.854850
H 4.514729 1.647672 0.971603
H 3.372481 2.786150 1.787594
H 4.344700 3.352167 0.371748
H 4.165641 -2.295565 1.441416
H 4.168907 -2.827128 -0.281039
H 3.685215 -3.995724 1.019003


%chk=000215248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215248

0 1
S -2.601786 -1.592844 0.656476
O 4.163331 -0.378565 -0.113868
O 2.763653 2.119994 -0.485901
O 2.598626 -2.730114 0.520210
N -5.299911 -0.803128 0.672815
N -2.256407 1.010807 0.116388
N -3.638478 0.858148 0.214917
C -0.081737 -0.178230 0.226970
C 2.759713 -0.294909 0.033446
C 2.064329 0.938755 -0.143122
C 2.014231 -1.460250 0.369120
C 0.664023 0.998268 -0.063789
C 0.607238 -1.395087 0.461723
C -1.541585 -0.095639 0.296755
C -4.000990 -0.409015 0.494922
C -6.423087 0.149391 0.523039
C -6.807612 0.408821 -0.948794
C 4.637419 -0.153891 -1.504358
C 3.701018 2.609345 0.551813
C 3.721168 -2.846495 1.477790
H 0.151420 1.949861 -0.225373
H 0.073683 -2.320030 0.703770
H -7.280156 -0.261306 1.087682
H -6.120327 1.097648 0.999606
H -5.503707 -1.793639 0.793042
H -5.950142 0.840739 -1.491456
H -7.119158 -0.522297 -1.455677
H -7.646180 1.127350 -0.999558
H 4.332347 0.846687 -1.858156
H 4.230692 -0.935882 -2.171264
H 5.734341 -0.230287 -1.454936
H 4.465784 1.846779 0.785197
H 3.143357 2.879559 1.468461
H 4.169363 3.507158 0.120691
H 3.374448 -2.600821 2.500255
H 4.554570 -2.185431 1.189519
H 4.025512 -3.903146 1.430944


