%chk=000232437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232437

0 1
S 3.758663 2.453440 0.641699
O 1.348697 2.443227 0.477907
O 4.345509 -0.330520 -1.400340
N 0.012396 1.726525 -1.285697
N 3.044936 -0.569327 0.515553
N -1.084004 1.601443 -0.466360
N 2.031487 -1.169713 -0.190722
C 3.543674 2.983072 -1.101610
C 5.456272 1.779737 0.645514
C 2.383172 2.196922 -1.688079
C 5.350408 0.263369 0.711161
C 1.235552 2.152396 -0.694882
C 4.228896 -0.221665 -0.198372
C -3.313263 1.043421 0.093365
C -0.164257 -1.957048 -0.576594
C -2.217123 1.131864 -0.910750
C 0.802147 -1.191533 0.259121
C -3.720306 2.181497 0.804292
C -1.221789 -2.656242 0.028638
C -3.938781 -0.192567 0.322222
C -0.022245 -1.995451 -1.974760
C -2.534017 0.659748 -2.296688
C 0.294586 -0.522064 1.496137
C -4.761990 2.083646 1.731690
C -2.132434 -3.367459 -0.756608
C -4.977104 -0.281285 1.251703
C -0.935067 -2.710537 -2.754026
C -5.392148 0.855710 1.954389
C -1.994497 -3.393003 -2.148133
H 3.335045 4.070582 -1.091290
H 4.466686 2.825759 -1.687554
H 5.980896 2.184752 1.531085
H 6.027409 2.108241 -0.240291
H 2.709835 1.147420 -1.922710
H 2.079229 2.634231 -2.659993
H 5.220110 -0.081727 1.756631
H 6.297692 -0.208894 0.366872
H -0.002238 1.370234 -2.246827
H 2.854238 -0.103595 1.416562
H -3.215483 3.134092 0.640714
H -1.329254 -2.654720 1.113044
H -3.607869 -1.079487 -0.218612
H 0.822158 -1.489041 -2.446877
H -2.047951 -0.307312 -2.507180
H -3.613954 0.505657 -2.440697
H -2.220453 1.379643 -3.063205
H 0.623925 -1.029865 2.409678
H -0.804181 -0.459311 1.525757
H 0.621779 0.537740 1.548436
H -5.078684 2.967097 2.284054
H -2.946667 -3.911993 -0.281082
H -5.463825 -1.238232 1.431224
H -0.811858 -2.746920 -3.835253
H -6.203023 0.782823 2.676697
H -2.703036 -3.951775 -2.756356


%chk=000232437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232437

0 1
S 4.103341 2.843604 0.934940
O 0.753474 4.800561 0.266334
O 2.575495 0.686250 -1.620140
N 0.513657 2.799543 -0.957133
N 2.458550 -0.922767 0.080003
N -0.759913 2.548056 -0.459039
N 1.230089 -1.430956 -0.333358
C 3.680970 4.358568 -0.128000
C 4.991036 1.770881 -0.355644
C 2.592977 4.089915 -1.181298
C 4.561707 0.303169 -0.213348
C 1.208068 3.937585 -0.532867
C 3.110406 0.070458 -0.654263
C -2.781778 1.292379 -0.384178
C -0.649478 -2.872232 -0.040437
C -1.441659 1.540378 -0.987575
C 0.605645 -2.269952 0.483427
C -3.379169 2.280305 0.454294
C -1.674621 -3.337139 0.828488
C -3.489290 0.079332 -0.609094
C -0.844894 -2.990553 -1.447221
C -0.927324 0.695509 -2.140599
C 1.132004 -2.635689 1.863597
C -4.644831 2.064788 1.030875
C -2.860541 -3.898590 0.307990
C -4.757369 -0.135777 -0.023681
C -2.026144 -3.557188 -1.964297
C -5.345081 0.855226 0.793421
C -3.040803 -4.016141 -1.089040
H 3.325287 5.111529 0.595488
H 4.617206 4.714811 -0.590076
H 6.079367 1.873862 -0.213988
H 4.715621 2.142226 -1.356086
H 2.848978 3.221044 -1.814024
H 2.535562 4.976680 -1.845569
H 4.725483 -0.048560 0.823724
H 5.204300 -0.324494 -0.866423
H 1.032941 2.082440 -1.492733
H 2.918794 -1.271407 0.930999
H -2.823515 3.205342 0.635193
H -1.572303 -3.230735 1.913793
H -3.048259 -0.716299 -1.218974
H -0.051724 -2.642221 -2.115971
H -0.125900 0.003102 -1.816604
H -1.732696 0.105252 -2.601504
H -0.498909 1.347391 -2.927109
H 2.114584 -3.146215 1.792706
H 0.458527 -3.328709 2.385640
H 1.259449 -1.737894 2.499715
H -5.090971 2.840137 1.664237
H -3.644451 -4.238579 0.993301
H -5.281325 -1.081381 -0.205589
H -2.153625 -3.651734 -3.048365
H -6.332262 0.690322 1.240268
H -3.956789 -4.462429 -1.491608


