%chk=000214700.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214700

0 1
O 1.933213 -1.377260 0.860472
O -0.077267 -0.630469 -1.681667
O -1.059972 1.274190 2.562480
O -0.134818 3.883669 -1.057331
O 2.279809 0.761629 0.246088
N -0.218554 1.603529 -1.401535
N -0.697995 2.563460 0.748938
C -1.062417 0.084505 0.431902
C -2.606116 -0.103754 0.141839
C -0.465340 -1.154719 1.127650
C -2.882885 -1.389668 -0.660749
C -0.391955 0.272055 -0.936040
C -0.930195 1.299468 1.358850
C 0.891315 -0.961912 1.818473
C -3.417948 -0.097599 1.437776
C -4.229991 -1.317375 -1.394884
C 1.095904 -1.913793 2.985312
C -0.325977 2.777407 -0.606307
C -4.511190 -2.600837 -2.172026
C 2.564400 -0.410348 0.115962
C 3.544349 -1.064906 -0.808866
C 4.736936 -0.145219 -1.098838
C 5.673470 -0.759645 -2.132823
H -2.921045 0.777759 -0.475046
H -1.203115 -1.516331 1.879719
H -0.366428 -1.978615 0.381506
H -2.869544 -2.270366 0.009631
H -2.078011 -1.579859 -1.402763
H 1.093279 0.093882 2.110984
H -4.460911 -0.384366 1.249991
H -3.439521 0.888722 1.918374
H -3.017666 -0.800734 2.180706
H -4.236475 -0.453672 -2.089182
H -5.048623 -1.132193 -0.671186
H 0.170485 1.729391 -2.350650
H -0.676133 3.392869 1.365541
H 0.942646 -2.961003 2.694575
H 2.122925 -1.844177 3.370822
H 0.414830 -1.681469 3.813758
H -4.557341 -3.474380 -1.511872
H -5.468384 -2.540439 -2.702688
H -3.734954 -2.798451 -2.921276
H 3.010457 -1.325899 -1.752641
H 3.884216 -2.038292 -0.393302
H 4.369127 0.841613 -1.452430
H 5.289271 0.061307 -0.159934
H 6.076309 -1.722823 -1.798574
H 5.168227 -0.929303 -3.091117
H 6.527702 -0.099878 -2.329320


%chk=000214700-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214700

0 1
O 1.994215 -1.568461 0.929666
O 0.053271 -0.956671 -1.659046
O -0.701816 1.301224 2.484380
O -0.029177 3.671090 -1.445171
O 2.131310 0.685586 0.372876
N -0.156252 1.339801 -1.551639
N -0.517385 2.458832 0.494433
C -0.926757 -0.004448 0.404770
C -2.521149 -0.043231 0.101045
C -0.495500 -1.273617 1.192061
C -2.948430 -1.385513 -0.560938
C -0.270080 0.058076 -0.984911
C -0.672861 1.267894 1.226246
C 0.875576 -1.273540 1.905233
C -3.372347 0.252288 1.359273
C -4.253830 -1.258310 -1.383124
C 0.967521 -2.393509 2.944804
C -0.224526 2.569652 -0.873973
C -4.702953 -2.609775 -1.979393
C 2.543409 -0.497199 0.239964
C 3.645589 -0.951891 -0.696797
C 4.639583 0.171737 -1.060961
C 5.666307 -0.288574 -2.116345
H -2.709553 0.769359 -0.632245
H -1.250980 -1.452064 1.977862
H -0.521644 -2.133796 0.500337
H -3.088942 -2.153544 0.226467
H -2.152489 -1.759437 -1.232192
H 1.089261 -0.293157 2.362510
H -4.440485 0.112937 1.115841
H -3.244843 1.284212 1.726682
H -3.125986 -0.429807 2.192232
H -4.094805 -0.527930 -2.202584
H -5.067852 -0.848457 -0.752710
H 0.170138 1.390602 -2.521763
H -0.444047 3.327278 1.033940
H 0.728081 -3.374233 2.496466
H 1.984662 -2.444986 3.368158
H 0.258133 -2.198356 3.768527
H -4.917090 -3.345540 -1.181504
H -5.618452 -2.495921 -2.588011
H -3.915931 -3.038007 -2.627914
H 3.142866 -1.324791 -1.613937
H 4.159007 -1.823503 -0.252767
H 4.075029 1.047513 -1.430303
H 5.164665 0.507639 -0.146129
H 6.256557 -1.151905 -1.755243
H 5.165003 -0.593601 -3.054439
H 6.374077 0.523755 -2.361430


