%chk=000295826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295826

0 1
S 2.214821 1.343201 0.202428
N -2.490708 -0.276070 -0.451712
N -3.853016 -0.107852 -0.508147
N -0.338019 0.563849 -0.131321
N 0.098846 2.911597 0.344200
C -6.868061 -2.006962 -0.086127
C -6.091909 -0.917033 -0.839318
C 3.845941 -0.689030 -0.064084
C 2.375586 -0.443293 -0.124327
C -6.652839 -1.935845 1.422664
C 4.455623 -1.031048 1.154102
C 4.628438 -0.580288 -1.225352
C -4.605397 -1.139580 -0.766377
C 5.831912 -1.265543 1.205888
C 6.004204 -0.816142 -1.166363
C -1.692846 0.845703 -0.177634
C 0.482333 1.619995 0.128038
C 6.608191 -1.159959 0.047321
C -2.181386 2.156829 0.034785
C -1.241907 3.157714 0.292845
H -6.581882 -3.009168 -0.461413
H -7.948347 -1.899654 -0.313491
H -6.364468 0.085263 -0.441023
H -6.394640 -0.902517 -1.908524
H 1.931143 -0.700660 -1.106598
H 1.805375 -1.028630 0.624540
H -6.984534 -0.974245 1.833011
H -7.208120 -2.724428 1.942644
H -5.594311 -2.046851 1.686469
H 3.857658 -1.108208 2.061025
H 4.165096 -0.306306 -2.172075
H -4.274140 -2.170995 -0.941527
H 6.300878 -1.529053 2.152667
H 6.607470 -0.729339 -2.068748
H 7.679991 -1.342520 0.090579
H -2.031479 -1.185066 -0.586743
H -3.248598 2.364516 -0.003686
H -1.545299 4.198021 0.467480


%chk=000295826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295826

0 1
S 2.204011 1.603891 0.310067
N -2.482366 -0.158934 -0.470110
N -3.862145 -0.075677 -0.561864
N -0.375662 0.741075 -0.097314
N -0.028386 3.087939 0.468788
C -6.719836 -2.153886 -0.017483
C -6.027029 -1.151084 -0.984761
C 3.810805 -0.662295 -0.073525
C 2.356112 -0.261365 -0.114118
C -6.544352 -1.779841 1.469588
C 4.393100 -1.148555 1.125930
C 4.622273 -0.558754 -1.233370
C -4.525098 -1.166205 -0.862667
C 5.753035 -1.528552 1.164604
C 5.982571 -0.937585 -1.197688
C -1.726459 0.962417 -0.154078
C 0.400362 1.816260 0.211265
C 6.552143 -1.424609 0.002070
C -2.294644 2.242405 0.093411
C -1.384383 3.270156 0.401661
H -6.322600 -3.173485 -0.198535
H -7.797776 -2.190255 -0.267958
H -6.388928 -0.124497 -0.793217
H -6.305256 -1.412131 -2.027228
H 1.903722 -0.389081 -1.109206
H 1.743061 -0.797551 0.625932
H -6.968079 -0.779741 1.677403
H -7.054534 -2.508343 2.125648
H -5.476898 -1.752955 1.755436
H 3.777046 -1.225335 2.029995
H 4.184194 -0.177292 -2.163639
H -4.016036 -2.138947 -1.032899
H 6.188473 -1.904027 2.097475
H 6.596368 -0.853691 -2.101565
H 7.607185 -1.719373 0.030944
H -1.964381 -1.035817 -0.631648
H -3.371823 2.399046 0.042741
H -1.736191 4.287078 0.606011


