%chk=000213389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213389

0 1
O 0.069372 0.251577 0.023348
O 2.756893 0.308842 0.540768
N -3.327855 0.528976 0.885380
C -3.919456 1.449686 1.913815
C -4.467153 0.187195 -0.032268
C -5.143022 2.152938 1.285825
C -5.500378 1.334101 0.031716
C -2.183852 1.159572 0.155382
C -1.311655 0.037851 -0.443262
C -1.136573 0.132745 -1.950637
C 0.456710 -0.270199 1.227449
C 1.862112 -0.280635 1.439175
C -0.391658 -0.757666 2.226862
C 2.402459 -0.763827 2.629237
C 0.160079 -1.239144 3.419794
C 1.541098 -1.241595 3.625368
C 2.842895 -0.226064 -0.745813
C 3.468020 0.638198 -1.678662
C 2.418629 -1.512272 -1.085039
C 3.657150 0.156471 -2.976254
C 3.913743 2.002036 -1.274190
C 2.621486 -1.959368 -2.395597
C 3.236787 -1.132108 -3.335567
H -3.178369 2.168591 2.306160
H -4.229483 0.808591 2.767126
H -4.907031 -0.758614 0.350608
H -4.125636 -0.009974 -1.063441
H -4.908358 3.197316 1.022153
H -5.984866 2.193115 1.995463
H -6.527539 0.939308 0.086982
H -5.456144 1.960122 -0.874430
H -2.499767 1.884252 -0.622324
H -1.559098 1.744021 0.870837
H -1.645158 -0.973934 -0.124611
H -0.426659 -0.628437 -2.308753
H -0.709851 1.101270 -2.247064
H -2.084644 -0.004174 -2.478476
H -1.474978 -0.750628 2.089840
H 3.482749 -0.758403 2.769017
H -0.504423 -1.614448 4.197739
H 1.955375 -1.616539 4.558376
H 1.940248 -2.151554 -0.347749
H 4.136463 0.791833 -3.719641
H 3.345156 2.365748 -0.401617
H 4.973920 1.997877 -0.982746
H 3.788714 2.736419 -2.078601
H 2.299192 -2.960531 -2.675925
H 3.394956 -1.484437 -4.351651


%chk=000213389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213389

0 1
O 0.049134 0.309659 -0.086347
O 2.749974 0.362607 0.466065
N -3.364770 0.478928 1.048751
C -4.054598 1.327811 2.066785
C -4.489414 0.054943 0.156802
C -5.143806 2.152303 1.297819
C -5.453597 1.286921 0.030296
C -2.272398 1.190783 0.323762
C -1.382797 0.199848 -0.486193
C -1.370389 0.467545 -1.993093
C 0.446203 -0.225710 1.143156
C 1.851224 -0.229698 1.389210
C -0.431066 -0.742778 2.128718
C 2.363091 -0.717045 2.604429
C 0.095643 -1.241125 3.343952
C 1.485912 -1.226932 3.590989
C 2.952099 -0.237585 -0.805477
C 3.617535 0.580316 -1.758691
C 2.572234 -1.565536 -1.094279
C 3.887736 0.011644 -3.025504
C 4.005586 2.001610 -1.408362
C 2.855672 -2.103947 -2.369453
C 3.514611 -1.317086 -3.340174
H -3.327115 1.953813 2.610331
H -4.542958 0.657919 2.800171
H -5.016624 -0.787689 0.642340
H -4.109978 -0.303500 -0.814936
H -4.753560 3.144611 1.009603
H -6.040507 2.316767 1.920245
H -6.508715 0.964206 -0.005259
H -5.253020 1.856649 -0.894450
H -2.652675 1.984418 -0.361658
H -1.638531 1.692362 1.075965
H -1.722402 -0.833498 -0.268441
H -0.732783 -0.265961 -2.514190
H -0.973808 1.477376 -2.199935
H -2.395251 0.404973 -2.402866
H -1.516518 -0.723433 1.964535
H 3.446489 -0.690561 2.758179
H -0.592817 -1.632626 4.101136
H 1.887939 -1.606249 4.536024
H 2.067019 -2.169093 -0.333317
H 4.398807 0.625868 -3.776994
H 3.126736 2.575400 -1.062311
H 4.736577 2.024067 -0.578800
H 4.447865 2.517159 -2.278072
H 2.564553 -3.135689 -2.596810
H 3.738060 -1.730664 -4.329547


