%chk=000267738.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267738

0 1
O -1.419817 2.535217 0.256210
O -1.181181 1.328904 2.036762
O 4.068377 2.059227 1.055031
O 4.206318 2.781352 -1.709832
N -1.325925 1.471383 0.832986
C -0.052176 -0.546001 0.073260
C -1.403517 0.203843 -0.023303
C -0.103885 -1.853823 -0.765695
C -2.575024 -0.668153 0.495769
C -1.403424 -2.595632 -0.596643
C 1.085426 0.346047 -0.374981
C -2.504582 -2.063749 -0.063749
C 1.078598 -2.728056 -0.394521
C -3.898766 -0.006307 0.171360
C 2.028106 0.769230 0.579500
C 1.208939 0.757645 -1.704651
C 2.233776 -2.707577 -1.189843
C 1.036104 -3.545534 0.744810
C -4.591949 0.684101 1.176050
C -4.431568 -0.067965 -1.124496
C 3.085910 1.592957 0.199454
C 2.269354 1.579223 -2.098546
C 3.216806 2.002610 -1.158386
C 3.330741 -3.505196 -0.852429
C 2.134562 -4.342702 1.076852
C -5.809892 1.304931 0.884915
C -5.649999 0.553501 -1.410357
C 3.282937 -4.325775 0.278825
C -6.341214 1.240310 -0.406986
C 3.879213 1.827280 2.473273
C 5.173372 3.389637 -0.816743
H 0.101321 -0.836342 1.148451
H -1.597227 0.524033 -1.080714
H -0.032512 -1.583836 -1.855667
H -2.470015 -0.764463 1.616409
H -1.387889 -3.622246 -0.968741
H -3.434457 -2.629431 0.020322
H 1.924081 0.446252 1.613774
H 0.477747 0.448869 -2.449880
H 2.285214 -2.060312 -2.064661
H 0.145995 -3.560392 1.371924
H -4.182400 0.745841 2.184473
H -3.897021 -0.601677 -1.908868
H 2.371416 1.907168 -3.132852
H 4.225956 -3.483873 -1.472251
H 2.095592 -4.978008 1.960110
H -6.343297 1.843564 1.667232
H -6.060530 0.504544 -2.417791
H 4.137231 -4.947375 0.538440
H -7.288906 1.726182 -0.631946
H 3.923670 0.756068 2.689855
H 2.939925 2.274753 2.813143
H 4.742971 2.351833 2.900344
H 5.753715 2.611154 -0.308857
H 4.665526 4.035887 -0.093926
H 5.790478 3.966581 -1.514416


%chk=000267738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267738

0 1
O -1.515232 2.611131 -0.061471
O -1.189194 1.488686 1.895795
O 4.313741 1.744309 1.036883
O 4.404527 2.747471 -1.632972
N -1.375919 1.534027 0.619164
C -0.063795 -0.524528 0.033006
C -1.437024 0.192118 -0.122314
C -0.083520 -1.877417 -0.765840
C -2.617416 -0.638115 0.464927
C -1.408444 -2.606743 -0.606416
C 1.105466 0.363276 -0.390274
C -2.525245 -2.063505 -0.061218
C 1.102594 -2.753777 -0.339108
C -3.968623 0.017144 0.160168
C 2.130402 0.662083 0.537360
C 1.202926 0.880385 -1.704213
C 2.282831 -2.804242 -1.120596
C 1.051478 -3.498881 0.867545
C -4.632645 0.782025 1.150845
C -4.561118 -0.103628 -1.123392
C 3.241762 1.457423 0.174657
C 2.296766 1.691914 -2.068106
C 3.321273 1.996860 -1.146998
C 3.388677 -3.582678 -0.710116
C 2.153928 -4.278918 1.280587
C -5.863281 1.416018 0.866458
C -5.790924 0.527485 -1.409701
C 3.328362 -4.323107 0.492620
C -6.446212 1.290759 -0.415015
C 4.280750 1.153295 2.378208
C 4.843533 3.919732 -0.846224
H 0.043375 -0.770477 1.106986
H -1.635859 0.463286 -1.172594
H 0.055502 -1.638866 -1.841436
H -2.482344 -0.648193 1.566683
H -1.431144 -3.644723 -0.964618
H -3.440665 -2.663283 0.025451
H 2.057389 0.251663 1.549294
H 0.422261 0.674675 -2.446153
H 2.340191 -2.223875 -2.049325
H 0.139589 -3.475030 1.477625
H -4.181344 0.886203 2.145209
H -4.060444 -0.700280 -1.896455
H 2.384099 2.114078 -3.074043
H 4.294527 -3.608940 -1.326061
H 2.097718 -4.853985 2.212071
H -6.363174 2.007374 1.641550
H -6.238486 0.426116 -2.404939
H 4.183653 -4.929890 0.810723
H -7.400094 1.782052 -0.637067
H 4.257512 0.047882 2.325651
H 3.411374 1.518786 2.958035
H 5.213396 1.483462 2.858876
H 5.229579 3.613398 0.139119
H 4.006071 4.632808 -0.719786
H 5.639097 4.380857 -1.451243


