%chk=000246235.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246235

0 1
S -2.786238 -0.743708 0.152339
N 2.059116 -0.547881 -1.012564
N 0.163078 -1.832875 -0.759308
N 1.107422 1.666818 -0.346587
N -1.307847 1.486701 0.219777
N -0.122731 3.528322 0.435195
C 4.262763 -0.086616 0.095110
C 3.473996 -0.203570 -1.235394
C 4.458593 -1.469059 0.747270
C 5.602885 0.597122 -0.191798
C 1.055821 0.317486 -0.579270
C 4.959278 -1.364610 2.185632
C -0.134158 -0.500790 -0.434210
C 1.458144 -1.850574 -1.087537
C -1.310309 0.163882 -0.025044
C -5.304858 -0.258275 0.959070
C -4.007726 0.493228 0.702877
C -6.012485 -0.690427 -0.333745
C -0.097618 2.187796 0.071819
C -7.351484 -1.362763 -0.040206
H 3.672722 0.561843 0.793737
H 3.511430 0.774123 -1.776368
H 3.932112 -0.964351 -1.903423
H 3.497972 -2.023110 0.742015
H 5.164017 -2.075870 0.148218
H 5.463408 1.607596 -0.592823
H 6.212487 0.032220 -0.904635
H 6.192991 0.696682 0.728217
H 4.264173 -0.794642 2.814174
H 5.068213 -2.357126 2.637985
H 5.935003 -0.868833 2.242640
H 2.026034 -2.716378 -1.396039
H -5.131429 -1.142089 1.608218
H -5.982864 0.396882 1.547649
H -4.120999 1.282870 -0.064095
H -3.640234 1.001081 1.616318
H -6.169187 0.187908 -0.990276
H -5.367089 -1.383115 -0.911084
H -7.847307 -1.673971 -0.967014
H -8.037181 -0.691263 0.488298
H -7.226468 -2.259138 0.578401
H 0.651482 4.114535 0.159238
H -1.019427 3.979040 0.542526


%chk=000246235-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246235

0 1
S -2.815382 -0.926677 0.035713
N 2.102567 -0.574763 -1.042680
N 0.225881 -1.906773 -0.943615
N 1.134652 1.558771 -0.254005
N -1.269063 1.342981 0.257310
N -0.140947 3.377864 0.508142
C 4.301517 -0.007593 0.079378
C 3.500846 -0.158380 -1.243834
C 4.417095 -1.360622 0.828452
C 5.682758 0.608503 -0.244079
C 1.070497 0.240180 -0.576857
C 5.045683 -1.248604 2.234622
C -0.087312 -0.599419 -0.522593
C 1.534028 -1.850050 -1.241044
C -1.281929 0.027680 -0.078622
C -5.387404 -0.202024 0.928200
C -4.005548 0.418662 0.664528
C -6.113558 -0.716005 -0.337670
C -0.080872 2.046426 0.155907
C -7.524467 -1.258609 -0.025326
H 3.740006 0.703127 0.719522
H 3.489992 0.809570 -1.777604
H 3.985063 -0.907648 -1.899094
H 3.407056 -1.805364 0.925959
H 5.015100 -2.063862 0.210110
H 5.577270 1.568330 -0.783817
H 6.284428 -0.074778 -0.875177
H 6.257403 0.807693 0.676864
H 4.486777 -0.526583 2.859430
H 5.027764 -2.224812 2.752525
H 6.098121 -0.915191 2.190417
H 2.126145 -2.685852 -1.609020
H -5.296733 -1.024000 1.666478
H -6.013213 0.578951 1.408566
H -4.041482 1.208065 -0.103974
H -3.553404 0.839416 1.576389
H -6.183178 0.109735 -1.074534
H -5.506508 -1.508679 -0.816574
H -8.027073 -1.623885 -0.939395
H -8.163897 -0.473615 0.421888
H -7.474759 -2.099931 0.691583
H 0.699328 3.945343 0.450082
H -1.027746 3.767523 0.812751


