%chk=000240846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240846

0 1
S 1.483834 1.103370 1.416627
N 2.342812 -2.496173 0.357932
C 0.184423 -1.115581 0.293672
C -1.211551 -1.095438 -0.367782
C -2.139229 -0.057838 0.276145
C 1.004254 -2.320372 -0.253875
C 0.915530 0.156556 0.052073
C -3.538609 -0.090590 -0.354234
C 1.272011 0.771343 -1.108993
C -4.464998 0.944409 0.279965
C 2.003437 2.005304 -0.911071
C 2.201839 2.321118 0.395125
H 0.038439 -1.271191 1.394690
H -1.112668 -0.890502 -1.451236
H -1.666747 -2.102319 -0.289510
H -1.703120 0.955602 0.169376
H -2.213983 -0.236181 1.365927
H 0.429024 -3.259446 -0.092362
H 1.135656 -2.221788 -1.354006
H -3.978729 -1.101184 -0.246235
H -3.465176 0.093112 -1.444144
H 1.047073 0.402368 -2.099862
H -4.592820 0.768472 1.354139
H -5.460278 0.918646 -0.177558
H -4.075201 1.961995 0.160172
H 2.275074 -2.557588 1.369489
H 2.941108 -1.700001 0.150323
H 2.345763 2.594925 -1.751545
H 2.709431 3.170571 0.815460


%chk=000240846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240846

0 1
S 2.247271 0.763867 1.250879
N 2.336616 -2.560324 0.535629
C 0.218780 -1.070990 0.337708
C -1.180984 -1.086421 -0.336756
C -2.186230 -0.072557 0.254263
C 1.064028 -2.322825 -0.139952
C 0.966049 0.216957 0.080733
C -3.562785 -0.109485 -0.448538
C 0.908522 1.096526 -0.994686
C -4.571542 0.892763 0.152445
C 1.846549 2.195421 -0.923251
C 2.637355 2.175551 0.213568
H 0.073065 -1.188904 1.432313
H -1.069025 -0.909671 -1.426391
H -1.599963 -2.109231 -0.235965
H -1.766279 0.950377 0.187031
H -2.322510 -0.282134 1.336109
H 0.428482 -3.220806 -0.009639
H 1.248206 -2.212377 -1.226055
H -3.978620 -1.136540 -0.388197
H -3.425658 0.105245 -1.528543
H 0.207386 0.977201 -1.825065
H -4.756044 0.676973 1.222044
H -5.544399 0.854942 -0.372098
H -4.189893 1.929102 0.082116
H 2.277648 -2.881571 1.503465
H 3.062147 -1.856743 0.385906
H 1.919950 2.968903 -1.692218
H 3.418473 2.868352 0.521848


