%chk=000217377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217377

0 1
N 0.983147 -2.983970 -0.089825
C -1.483616 0.572524 -0.442288
C -2.127681 -0.741522 0.064329
C -0.509115 0.280355 -1.596985
C -1.035553 -1.715061 0.536248
C 0.587160 -0.741587 -1.233276
C -0.036997 -2.022380 -0.594766
C -2.574286 1.561341 -0.900324
C -3.118225 -0.447969 1.208185
C -3.570170 1.845639 0.232051
C -4.196556 0.548075 0.761365
C 1.687135 -0.093969 -0.420649
C 2.863662 0.301897 -1.082727
C 1.577314 0.138963 0.957192
C 3.902355 0.914628 -0.378796
C 2.617726 0.751509 1.660865
C 3.783798 1.140997 0.996431
H -0.913934 1.040352 0.396792
H -2.690763 -1.211509 -0.777725
H -0.033264 1.224194 -1.927246
H -1.071978 -0.097777 -2.472327
H -0.504665 -1.294771 1.416979
H -1.486899 -2.664085 0.886498
H 1.042792 -1.078125 -2.204318
H -0.594944 -2.552763 -1.415042
H -3.112491 1.155511 -1.777453
H -2.109306 2.506145 -1.236815
H -2.577870 -0.045108 2.085361
H -3.591421 -1.387991 1.546971
H -4.362613 2.528252 -0.126803
H -3.058144 2.377707 1.056757
H -4.873707 0.773080 1.606116
H -4.828386 0.089899 -0.023583
H 1.478337 -2.608280 0.715101
H 1.684318 -3.174465 -0.799875
H 2.968277 0.136028 -2.153207
H 0.667280 -0.161042 1.487337
H 4.807351 1.217515 -0.902923
H 2.517164 0.926609 2.730797
H 4.593267 1.617854 1.543977


%chk=000217377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217377

0 1
N 1.029849 -2.890921 -0.314556
C -1.611171 0.649927 -0.417581
C -2.126867 -0.723223 0.094630
C -0.571025 0.470800 -1.550374
C -0.954276 -1.648851 0.494145
C 0.597047 -0.520669 -1.252990
C 0.016424 -1.881260 -0.682932
C -2.796320 1.539781 -0.868688
C -3.147585 -0.531509 1.242055
C -3.828369 1.731094 0.267900
C -4.328612 0.370136 0.810350
C 1.757020 0.034546 -0.421252
C 3.082979 -0.141748 -0.907381
C 1.607702 0.681323 0.837746
C 4.209301 0.309863 -0.183877
C 2.730105 1.136683 1.566527
C 4.037534 0.953701 1.062538
H -1.130015 1.167462 0.439656
H -2.661656 -1.208856 -0.755023
H -0.156293 1.456911 -1.839564
H -1.113751 0.084731 -2.440538
H -0.408126 -1.219574 1.359757
H -1.336385 -2.635278 0.818271
H 1.041173 -0.779942 -2.237914
H -0.582313 -2.317389 -1.510759
H -3.293436 1.064291 -1.741243
H -2.419471 2.523651 -1.213738
H -2.632417 -0.072038 2.112515
H -3.522080 -1.518561 1.579557
H -4.683086 2.337551 -0.090360
H -3.356657 2.301044 1.095485
H -5.021691 0.528282 1.659592
H -4.906631 -0.146171 0.015820
H 1.631607 -2.583348 0.460311
H 1.601008 -3.205721 -1.108413
H 3.229346 -0.632695 -1.877896
H 0.612566 0.839650 1.261091
H 5.215772 0.161086 -0.591959
H 2.581401 1.634491 2.531940
H 4.905895 1.307447 1.629551


