%chk=000276805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276805

0 1
O -5.475970 -0.641799 0.740754
O -5.445822 1.157508 -0.627500
N 0.800169 -0.622240 -0.126323
N 1.618896 0.309000 0.115168
N 5.198406 1.156339 0.329265
N 5.065016 -1.181404 -0.440134
N 3.299575 2.402950 0.804466
N 3.047125 -2.275324 -0.732078
N 7.133007 -0.088420 -0.174734
C -3.369680 0.064414 -0.028024
C -0.604054 -0.298083 -0.049811
C -2.553448 0.948766 -0.753587
C -2.797780 -1.001010 0.687268
C -1.171500 0.773399 -0.764549
C -1.417910 -1.186996 0.679698
C 2.986917 0.080294 0.025807
C -4.831115 0.291526 -0.043941
C 3.826322 1.209381 0.384588
C 3.687043 -1.120283 -0.380195
C -6.935911 -0.578037 0.812210
C 5.761366 -0.039718 -0.091449
C -7.537933 -1.185480 -0.437625
H -3.013193 1.774292 -1.305795
H -3.445689 -1.680385 1.249138
H -0.532663 1.456018 -1.323269
H -0.966169 -2.010620 1.231410
H -7.123640 -1.174594 1.723291
H -7.235598 0.475048 0.959887
H -8.625036 -1.292517 -0.349306
H -7.338054 -0.556165 -1.318586
H -7.117304 -2.177112 -0.647455
H 3.905469 3.172038 1.048274
H 2.301764 2.534037 0.880601
H 3.581245 -3.083646 -1.018291
H 2.035049 -2.347886 -0.730090
H 7.596851 -0.943753 -0.435660
H 7.688547 0.703466 0.106379


%chk=000276805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276805

0 1
O -5.527617 -0.996165 0.514977
O -5.356746 1.324020 0.291727
N 0.870825 -0.691609 0.119481
N 1.667574 0.372032 -0.003696
N 5.231083 1.242652 -0.265530
N 5.088712 -1.213746 -0.078775
N 3.297408 2.560065 -0.249802
N 2.997523 -2.269475 0.116826
N 7.129653 -0.106476 -0.277634
C -3.338233 -0.046277 0.297577
C -0.520551 -0.396847 0.171668
C -2.476980 1.077425 0.154182
C -2.777483 -1.348956 0.376378
C -1.086362 0.910513 0.091493
C -1.384482 -1.519696 0.313843
C 3.025851 0.150627 -0.062448
C -4.804110 0.194989 0.359688
C 3.875245 1.323969 -0.194484
C 3.726158 -1.126886 -0.008106
C -7.013562 -0.862177 0.570542
C 5.762315 -0.026637 -0.203809
C -7.613166 -0.852168 -0.838830
H -2.929908 2.072799 0.094324
H -3.442575 -2.209428 0.486533
H -0.419939 1.769780 -0.018982
H -0.937467 -2.517596 0.374109
H -7.332066 -1.744058 1.149676
H -7.262875 0.064412 1.117122
H -8.717290 -0.842208 -0.774256
H -7.292455 0.045621 -1.393037
H -7.307952 -1.750103 -1.403562
H 3.887963 3.382903 -0.342984
H 2.281078 2.618947 -0.195829
H 3.487501 -3.163004 0.154814
H 1.962410 -2.133996 0.165014
H 7.574659 -1.019606 -0.236839
H 7.670158 0.749364 -0.371568


