%chk=000183289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183289

0 1
O -2.267982 -4.164595 -0.969023
N -3.130662 1.124505 0.398177
N 1.209549 -0.242086 -0.929795
N 4.846506 -0.133570 0.103615
N 0.917212 2.021178 -0.252017
C -0.993423 0.514714 -0.204857
C -1.831396 1.608813 0.214388
C -1.817326 -0.663917 -0.293515
C -3.155082 -0.267131 0.083028
C 0.386066 0.764474 -0.444552
C -1.286946 2.904905 0.385598
C 2.676003 -0.072618 -1.035962
C 3.372518 -0.270401 0.330073
C -1.565106 -1.986718 -0.642728
C -4.209952 -1.177695 0.106314
C -4.314148 1.900686 0.783207
C 0.084749 3.027989 0.135400
C 5.636077 -0.915228 1.112282
C 5.250161 1.314092 0.097118
C -2.645395 -2.885681 -0.608081
C -2.092623 4.087262 0.801352
C -3.950140 -2.504635 -0.243016
C 5.542129 -2.411639 0.808770
C 6.584331 1.477281 -0.632291
C -3.286395 -5.191349 -0.996611
H 3.060598 -0.807126 -1.777732
H 2.905890 0.943223 -1.439859
H 2.967669 0.455164 1.069168
H 3.144166 -1.282583 0.725452
H 0.862366 -1.199676 -0.885923
H -0.579877 -2.331240 -0.942415
H -5.214122 -0.871351 0.387934
H -4.111619 2.494717 1.693520
H -4.616260 2.589804 -0.026707
H -5.166415 1.234019 1.000431
H 0.584495 3.999475 0.252238
H 6.700599 -0.596365 1.036713
H 5.318381 -0.714798 2.158049
H 4.465260 1.895480 -0.441240
H 5.312856 1.748345 1.117760
H -1.476603 4.993219 0.890235
H -2.879919 4.312453 0.068993
H -2.564320 3.929382 1.780790
H -4.758720 -3.227007 -0.230185
H 4.534665 -2.804446 0.985004
H 5.783330 -2.610427 -0.244547
H 6.239905 -2.983030 1.428489
H 7.415148 1.030739 -0.075207
H 6.555144 0.982357 -1.612761
H 6.815264 2.534643 -0.795046
H -2.709845 -6.069596 -1.315681
H -4.058148 -4.943137 -1.730741
H -3.704514 -5.340078 0.002891


%chk=000183289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183289

0 1
O -2.602393 -4.278196 -1.009427
N -3.107741 1.134550 0.322214
N 1.249912 -0.502914 -0.696600
N 4.917994 -0.068273 0.222919
N 1.030922 1.780632 -0.179756
C -0.978018 0.400310 -0.171348
C -1.764246 1.546035 0.204346
C -1.876872 -0.735886 -0.293338
C -3.191152 -0.241842 0.022950
C 0.434055 0.560161 -0.344605
C -1.154706 2.825651 0.381731
C 2.701032 -0.362325 -0.883005
C 3.498305 -0.438310 0.445693
C -1.725293 -2.098580 -0.636724
C -4.323979 -1.074028 0.006153
C -4.296473 1.912192 0.677298
C 0.241469 2.842230 0.160543
C 5.876039 -0.803769 1.087985
C 5.120838 1.408351 0.252864
C -2.864066 -2.937766 -0.653584
C -1.857230 4.113210 0.770923
C -4.156131 -2.436456 -0.334300
C 6.061822 -2.273945 0.665366
C 6.308757 1.867754 -0.613845
C -3.738072 -5.196827 -1.061198
H 3.055465 -1.151710 -1.569830
H 2.890206 0.614468 -1.358218
H 3.002914 0.227253 1.189896
H 3.446320 -1.468748 0.843180
H 0.836977 -1.430624 -0.747706
H -0.768969 -2.556236 -0.906761
H -5.321014 -0.691749 0.246710
H -4.026063 2.949733 0.900578
H -5.026386 1.912219 -0.155102
H -4.787390 1.480591 1.570469
H 0.776209 3.794841 0.272942
H 6.853739 -0.292801 1.012566
H 5.577598 -0.755553 2.167057
H 4.194549 1.883438 -0.119313
H 5.254683 1.772150 1.303304
H -1.120566 4.934614 0.820320
H -2.629259 4.417495 0.037609
H -2.338429 4.053261 1.766714
H -5.030676 -3.092755 -0.350304
H 5.117046 -2.843576 0.733698
H 6.415723 -2.325882 -0.379104
H 6.801684 -2.774774 1.317888
H 7.264021 1.428086 -0.272401
H 6.152115 1.563015 -1.663338
H 6.413536 2.968565 -0.575149
H -3.311192 -6.165814 -1.360121
H -4.487443 -4.874294 -1.811108
H -4.226073 -5.296376 -0.071237


