%chk=000211439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211439

2 1
N -0.392188 0.802810 0.357962
N 2.371031 -0.210983 -0.516084
C 0.025399 -0.666766 0.403509
C 0.446153 1.474878 -0.728748
C 1.527238 -0.876769 0.576062
C 1.950756 1.261337 -0.568930
C -1.932479 0.885527 -0.030758
C -0.148034 1.466513 1.692342
C 2.148437 -0.883664 -1.854715
C 3.846891 -0.328938 -0.193381
C -2.791034 0.193669 1.040688
C -2.344920 2.326091 -0.241061
C -4.102669 -0.236002 0.420030
C 4.735341 0.653481 -0.656241
C 4.316633 -1.456557 0.496551
C 6.100171 0.521282 -0.382980
C 5.684803 -1.572552 0.761049
C -5.255439 0.534433 0.617503
C -4.162372 -1.414392 -0.339269
C 6.577483 -0.585147 0.328950
C -6.468649 0.125652 0.052543
C -5.377862 -1.815299 -0.900736
C -6.530937 -1.045637 -0.707998
H -0.350622 -1.181781 -0.517639
H -0.516534 -1.180164 1.249274
H 0.242797 2.582435 -0.725963
H 0.092992 1.124846 -1.731818
H 1.879052 -0.507296 1.575099
H 1.734926 -1.983070 0.590573
H 2.475534 1.771855 -1.424089
H 2.337732 1.775076 0.350510
H -2.018687 0.321301 -1.002189
H -0.681932 0.947171 2.515094
H -0.529614 2.511054 1.696454
H 0.917773 1.508463 1.971147
H 1.101343 -0.853279 -2.191535
H 2.773226 -0.417624 -2.647967
H 2.465869 -1.949071 -1.827224
H -2.302101 -0.696377 1.487743
H -2.993079 0.872317 1.899808
H -2.217385 2.977027 0.635095
H -3.442006 2.362763 -0.448027
H -1.892959 2.817640 -1.110900
H 4.405582 1.516812 -1.236345
H 3.656760 -2.260194 0.827090
H 6.802053 1.288184 -0.736243
H 6.060642 -2.448773 1.305616
H -5.228015 1.439302 1.223188
H -3.282976 -2.034559 -0.478761
H 7.651377 -0.682617 0.540424
H -7.372088 0.720628 0.213157
H -5.433019 -2.736633 -1.485133
H -7.481494 -1.365203 -1.144526


%chk=000211439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211439

2 1
N -0.368516 0.691691 0.430027
N 2.442360 -0.238949 -0.493874
C 0.100609 -0.771816 0.437482
C 0.464578 1.423480 -0.633403
C 1.616147 -0.948049 0.593945
C 1.980709 1.237518 -0.488692
C -1.930981 0.731199 -0.018440
C -0.198746 1.335998 1.803014
C 2.224118 -0.907632 -1.861636
C 3.956897 -0.295123 -0.181656
C -2.843518 0.019579 1.017859
C -2.394582 2.163169 -0.317820
C -4.218982 -0.244511 0.396339
C 4.819367 0.486545 -0.983601
C 4.458329 -1.145432 0.826926
C 6.210739 0.428185 -0.751598
C 5.855744 -1.191767 1.043961
C -5.345860 0.516809 0.794183
C -4.376564 -1.255999 -0.586190
C 6.731714 -0.408619 0.262152
C -6.612090 0.272944 0.214807
C -5.640813 -1.498597 -1.166642
C -6.760678 -0.730874 -0.769285
H -0.280870 -1.235226 -0.487793
H -0.380247 -1.285488 1.284537
H 0.251740 2.500991 -0.553339
H 0.096915 1.084473 -1.616971
H 1.973113 -0.566366 1.563758
H 1.838949 -2.026285 0.545759
H 2.466341 1.754382 -1.330389
H 2.380552 1.676885 0.439882
H -1.918553 0.139342 -0.955722
H -0.739468 0.739389 2.550689
H -0.615764 2.352215 1.772430
H 0.864083 1.391546 2.079678
H 1.158819 -0.909613 -2.134271
H 2.800741 -0.358721 -2.619043
H 2.603341 -1.938487 -1.801202
H -2.412067 -0.946877 1.340838
H -2.963914 0.654951 1.913613
H -2.371516 2.824076 0.566230
H -3.453312 2.091346 -0.621974
H -1.863634 2.645901 -1.154026
H 4.454830 1.134337 -1.788349
H 3.823174 -1.780094 1.449204
H 6.882750 1.032443 -1.367905
H 6.252551 -1.848263 1.823980
H -5.246770 1.286514 1.569756
H -3.523133 -1.882673 -0.882401
H 7.810733 -0.453140 0.435656
H -7.479921 0.857286 0.536402
H -5.758268 -2.289024 -1.914869
H -7.742275 -0.922371 -1.213813


