%chk=000253640.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253640

0 1
O -0.919017 -0.118665 2.240784
O -2.352557 2.280447 0.663716
O -3.536741 -1.546520 0.150012
O -4.264839 1.679568 -0.390093
O 4.818265 -3.096797 -0.201265
O -2.776696 -0.888044 -1.874358
N 1.191723 -0.578125 1.344502
N 3.117084 0.661321 0.254141
N 2.074105 -2.691438 1.196671
N 4.902296 -0.821933 -0.481679
N 4.982736 1.512129 -0.985318
C -1.689631 1.038326 0.279516
C 0.241581 0.513303 1.693367
C -0.196147 1.334389 0.466427
C -2.034620 -0.063019 1.305018
C -2.197566 -1.459254 0.690230
C 2.429325 -0.474901 0.698974
C 1.032073 -1.979893 1.634462
C 2.959741 -1.786412 0.608759
C -3.655109 2.501981 0.249058
C 4.261514 -2.047192 -0.032321
C 4.373896 0.370094 -0.393498
C -3.722460 -1.176767 -1.178894
C -4.082478 3.840999 0.728783
C -5.171429 -1.200765 -1.483621
H -1.979998 0.787682 -0.768437
H 0.664188 1.111765 2.537454
H 0.361031 1.076632 -0.454808
H -0.045608 2.421118 0.634471
H -2.904736 0.204939 1.946652
H -2.191538 -2.248093 1.467503
H -1.445710 -1.689128 -0.088589
H 0.162314 -2.342913 2.163456
H 2.650870 1.555164 0.151124
H -3.315320 4.339136 1.344310
H -5.001309 3.766300 1.334406
H -4.312060 4.506136 -0.120875
H -5.743414 -1.845938 -0.798500
H -5.360500 -1.530231 -2.516689
H -5.581547 -0.174405 -1.380612
H 5.851146 1.286807 -1.480777
H 5.120942 2.304204 -0.365462


%chk=000253640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253640

0 1
O -0.975251 -0.158741 2.156928
O -2.217736 2.331454 0.780169
O -3.654256 -1.591991 -0.043293
O -4.350841 1.880707 -0.048105
O 5.203621 -2.951929 0.468421
O -2.855631 -0.867563 -2.114005
N 1.247538 -0.611837 1.393232
N 3.031941 0.590752 0.090713
N 2.363964 -2.587821 1.706361
N 5.035292 -0.725645 -0.271363
N 4.899379 1.467221 -1.081070
C -1.774723 1.018842 0.219737
C 0.208136 0.439461 1.544416
C -0.238179 1.040277 0.177856
C -2.114883 -0.125159 1.198301
C -2.284919 -1.504306 0.524095
C 2.485950 -0.492741 0.772171
C 1.236378 -1.915318 1.961995
C 3.169359 -1.707719 0.957033
C -3.571856 2.648270 0.561406
C 4.521861 -1.897114 0.394338
C 4.346128 0.391028 -0.405702
C -3.818868 -1.198565 -1.384392
C -3.915922 4.000156 1.139328
C -5.277669 -1.196268 -1.756872
H -2.235093 0.878813 -0.769264
H 0.579589 1.207271 2.248503
H 0.112879 0.406680 -0.654727
H 0.118892 2.072560 0.028104
H -3.015776 0.092836 1.794327
H -2.243993 -2.294805 1.288515
H -1.535357 -1.691862 -0.265152
H 0.386382 -2.267950 2.536444
H 2.498557 1.434695 -0.120173
H -3.068436 4.428464 1.692767
H -4.789170 3.902754 1.806534
H -4.205735 4.683684 0.321780
H -5.822583 -2.003123 -1.243240
H -5.387514 -1.285508 -2.847651
H -5.708538 -0.230294 -1.432956
H 5.837193 1.323232 -1.448276
H 4.493687 2.399109 -1.089233


