%chk=000281128.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281128

0 1
O 4.821104 -0.410977 -0.648352
O -0.170026 2.608423 -0.007799
O 4.012274 0.064171 1.412289
O -2.033035 2.125357 1.224280
O -3.775649 -1.775775 0.021195
O -3.826022 0.255459 -1.031894
N -1.151470 0.574484 -0.359285
N -1.930697 -0.456330 0.228970
C 1.400823 0.112945 -0.045043
C 0.151547 0.193441 -0.931535
C 0.756531 -1.167844 -0.570675
C 2.714206 0.592680 -0.609557
C -0.029977 -2.004147 0.359771
C -1.290480 -1.673512 0.674270
C 3.863134 0.077316 0.215877
C -1.202680 1.789272 0.420661
C -3.236693 -0.560708 -0.375314
C 6.043266 -0.924262 -0.054275
C -0.244721 3.981906 0.470463
C -5.192262 -1.942572 -0.270735
H 1.295304 0.336933 1.029988
H 0.224085 0.594851 -1.954592
H 1.271533 -1.740333 -1.353850
H 2.735937 1.709303 -0.598038
H 2.845235 0.307396 -1.677483
H 0.459188 -2.889060 0.762114
H -1.960009 -2.277449 1.303306
H 6.639837 -0.082567 0.309936
H 6.525108 -1.434327 -0.894823
H 5.806266 -1.614078 0.762750
H -0.326657 3.995931 1.562846
H -1.104628 4.477092 0.007756
H 0.705833 4.399563 0.122997
H -5.387832 -1.731803 -1.327758
H -5.355297 -2.997491 -0.024385
H -5.771078 -1.275389 0.376123


%chk=000281128-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281128

0 1
O 5.167016 -0.040380 -0.701254
O -0.277419 2.542598 -0.068718
O 3.999884 -0.692709 1.206884
O -2.168835 1.896965 1.172501
O -4.004948 -1.597074 0.102250
O -3.692531 0.420407 -1.067374
N -1.022066 0.389930 -0.241755
N -1.925875 -0.648122 0.081797
C 1.484580 -0.021233 -0.057707
C 0.208268 0.011764 -0.909735
C 0.780485 -1.340860 -0.435168
C 2.804677 0.358124 -0.700843
C -0.062042 -2.114833 0.524157
C -1.376920 -1.806209 0.705281
C 4.003913 -0.190810 0.061472
C -1.243889 1.627991 0.375440
C -3.249991 -0.515612 -0.369187
C 6.422100 -0.497497 -0.054782
C -0.462176 3.912748 0.460616
C -5.441303 -1.530935 -0.247909
H 1.365979 0.289711 0.985101
H 0.281664 0.290533 -1.965797
H 1.286491 -1.943854 -1.200140
H 2.903614 1.461399 -0.740311
H 2.869042 0.011712 -1.749278
H 0.369608 -2.973941 1.045174
H -2.080288 -2.393791 1.296156
H 6.599488 0.066631 0.876283
H 7.208190 -0.297906 -0.796100
H 6.360393 -1.573113 0.181274
H -0.408733 3.912475 1.562319
H -1.439478 4.314430 0.145066
H 0.363980 4.491839 0.023933
H -5.567384 -1.479544 -1.342228
H -5.868343 -2.458922 0.157695
H -5.905152 -0.644013 0.215084


