%chk=000257000.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257000

0 1
O -1.191817 -1.222671 3.016094
O -6.486851 1.409244 -0.380780
O -5.870174 1.176554 -2.536668
N 5.372779 0.924036 -0.447062
N 1.965040 -1.400512 1.919645
N 3.720104 0.053978 2.148211
N 3.854582 -0.463597 -1.605122
N 2.033333 -1.713419 -0.557643
N -0.885292 -1.391026 0.725806
C 4.298337 0.083831 -0.399781
C 3.582998 -0.286352 0.790635
C 2.475793 -1.192292 0.633760
C 6.040007 1.247632 -1.744490
C 5.930966 1.581248 0.768834
C 0.842361 -2.266552 2.268695
C 2.760423 -0.600495 2.806064
C 7.172372 0.267394 -2.036041
C 5.191211 2.877664 1.083943
C -0.513598 -1.555891 2.067543
C 2.782254 -1.299421 -1.621693
C -2.085251 -0.770372 0.263358
C -2.242980 -0.647276 -1.137122
C -3.084380 -0.305770 1.137383
C -4.400599 0.399750 -0.775576
C -3.397347 -0.064782 -1.646249
C -4.235858 0.276324 0.613142
C -5.608182 1.010458 -1.363715
C -7.737590 2.036384 -0.834398
C -8.462734 2.366120 0.452291
H 5.287649 1.218392 -2.571259
H 6.419643 2.291951 -1.692939
H 7.012881 1.777474 0.594174
H 5.875400 0.882455 1.639172
H 0.912064 -2.572892 3.342577
H 0.882416 -3.210085 1.666666
H 2.565938 -0.564162 3.869269
H 7.675976 0.521013 -2.976365
H 6.788058 -0.758183 -2.140652
H 7.929059 0.253327 -1.244393
H 5.639994 3.381483 1.948529
H 4.139364 2.681230 1.342016
H 5.198419 3.579877 0.243782
H 2.487039 -1.685138 -2.613245
H -0.213153 -1.679050 -0.010437
H -1.469741 -1.001990 -1.816729
H -2.961042 -0.397094 2.222478
H -3.536377 0.038420 -2.727470
H -5.021171 0.641954 1.282921
H -8.267608 1.303940 -1.467255
H -7.469269 2.924202 -1.432578
H -8.650263 1.463031 1.049461
H -7.871144 3.043605 1.083477
H -9.427839 2.846155 0.251834


%chk=000257000-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257000

0 1
O -1.288599 -1.330351 3.288968
O -6.590286 1.279268 -0.512963
O -5.633312 1.283738 -2.639841
N 5.383945 0.881695 -0.464576
N 2.029249 -1.288456 2.100898
N 3.995915 -0.120372 2.256606
N 3.521090 -0.109527 -1.514473
N 1.701882 -1.252154 -0.346275
N -0.810676 -1.174664 0.977795
C 4.208858 0.193311 -0.344790
C 3.625000 -0.245827 0.897374
C 2.400247 -0.962419 0.795471
C 5.862857 1.314169 -1.803594
C 6.225887 1.238143 0.706189
C 0.882304 -2.127782 2.492060
C 3.025024 -0.753098 2.934901
C 6.730547 0.240730 -2.492714
C 5.892324 2.632908 1.276956
C -0.516006 -1.482099 2.295160
C 2.345557 -0.781598 -1.459936
C -2.008932 -0.617515 0.462705
C -2.049973 -0.362072 -0.938877
C -3.146618 -0.319313 1.264801
C -4.342348 0.473696 -0.733660
C -3.202612 0.176878 -1.527522
C -4.297679 0.220366 0.661599
C -5.540250 1.038540 -1.408444
C -7.834652 1.844540 -1.112144
C -8.833435 2.016813 0.028009
H 4.983827 1.536248 -2.429257
H 6.438199 2.247236 -1.658437
H 7.279648 1.200039 0.372316
H 6.086330 0.482783 1.495259
H 0.971253 -2.360900 3.563718
H 0.929998 -3.071767 1.916378
H 2.983856 -0.856762 4.016951
H 7.109453 0.621573 -3.458777
H 6.129287 -0.662953 -2.688111
H 7.600249 -0.039952 -1.870722
H 6.593937 2.881578 2.093806
H 4.870431 2.641951 1.691968
H 5.970833 3.419730 0.504557
H 1.854311 -0.968902 -2.419699
H -0.034008 -1.326968 0.284822
H -1.172683 -0.590860 -1.554969
H -3.110289 -0.514375 2.337668
H -3.246397 0.377257 -2.602886
H -5.176683 0.449791 1.270394
H -8.195031 1.147395 -1.890412
H -7.581871 2.802057 -1.603012
H -9.054745 1.048136 0.507986
H -8.440225 2.704778 0.795980
H -9.778787 2.435439 -0.363107


