%chk=000200431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200431

0 1
S 5.443926 0.510262 -0.480558
N -2.651516 -0.752889 -0.103407
N -1.330636 1.104780 0.108986
C -0.531579 -0.020953 -0.113303
C -2.619532 0.670644 0.118412
C 0.926187 0.073022 -0.187496
C -1.325037 -1.177383 -0.248955
C -3.851343 -1.465191 -0.144135
C -3.861054 1.353128 0.301037
C 1.722567 -1.074455 -0.041121
C 1.544467 1.320555 -0.406249
C -5.023221 -0.776267 0.034592
C -5.027331 0.640424 0.258687
C 3.116044 -0.984252 -0.121266
C 2.932457 1.414292 -0.485339
C 3.711050 0.256961 -0.344127
C 6.215178 -1.083967 -0.138074
H -1.039209 -2.191383 -0.435789
H -3.798772 -2.541567 -0.317274
H -3.825375 2.430680 0.469560
H 1.259811 -2.042737 0.142220
H 0.925432 2.216685 -0.508036
H -5.976988 -1.302354 0.008400
H -5.989483 1.135264 0.394898
H 3.712505 -1.886581 -0.007331
H 3.399361 2.385793 -0.653858
H 7.303423 -0.931846 -0.182473
H 5.949359 -1.842023 -0.882959
H 5.967712 -1.458343 0.861558


%chk=000200431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200431

0 1
S 5.566025 0.603032 -0.296640
N -2.671494 -0.774345 0.001327
N -1.354993 1.109088 -0.076505
C -0.550534 -0.038956 -0.081658
C -2.637012 0.668359 -0.025769
C 0.916003 0.060335 -0.132265
C -1.345707 -1.205540 -0.034137
C -3.868428 -1.477654 0.053385
C -3.871933 1.372780 0.002062
C 1.752536 -1.086035 -0.139017
C 1.532684 1.341972 -0.176847
C -5.066123 -0.775392 0.080122
C -5.072913 0.660851 0.054362
C 3.156643 -0.966295 -0.188230
C 2.931034 1.470202 -0.226292
C 3.757638 0.314800 -0.232222
C 6.259984 -1.139934 -0.294587
H -1.087199 -2.260124 -0.023890
H -3.806360 -2.568150 0.071094
H -3.839147 2.464687 -0.018764
H 1.312309 -2.089567 -0.105861
H 0.888328 2.226317 -0.171939
H -6.003985 -1.335346 0.121171
H -6.027283 1.195453 0.076047
H 3.766824 -1.874685 -0.191703
H 3.384944 2.467087 -0.260626
H 7.353218 -1.017178 -0.335353
H 5.919367 -1.696561 -1.181660
H 5.983977 -1.668905 0.630994


