%chk=000179640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179640

0 1
O -5.097990 -1.850042 -0.047493
O -5.996251 0.343512 -0.151046
O 4.051221 -2.135286 0.321378
O 5.983648 0.018420 0.330430
N 0.078493 -1.466717 0.144649
C -1.866962 -0.001751 0.022479
C 0.416343 0.970662 0.082380
C -0.429566 -0.156643 0.083975
C -2.406887 1.308391 -0.039507
C 1.852867 0.771563 0.145214
C 2.338173 -0.557130 0.205359
C -0.167832 2.276809 0.018751
C -2.725381 -1.156910 0.024516
C -1.522649 2.439173 -0.039767
C -4.063986 -0.921310 -0.035583
C -3.828457 1.524441 -0.102266
C -4.613754 0.412569 -0.098691
C 1.379489 -1.646622 0.201447
C 2.779295 1.847628 0.148557
C 3.742082 -0.801949 0.268017
C 4.625788 0.285017 0.269109
C 4.137744 1.609327 0.209255
C -6.340184 -1.082120 -0.120347
C 5.455120 -2.506387 0.387736
H 0.495716 3.143426 0.018004
H -2.296888 -2.160481 0.072586
H -1.962071 3.435787 -0.088106
H -4.234845 2.529931 -0.149515
H 1.760348 -2.679470 0.248501
H 2.406311 2.871402 0.102487
H 4.845348 2.437456 0.211666
H -6.908955 -1.269333 0.800069
H -6.835205 -1.327381 -1.069303
H 6.506356 0.858014 0.324840
H 5.393241 -3.599998 0.418831
H 5.907822 -2.095928 1.296432
H 5.978456 -2.151268 -0.506247


%chk=000179640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179640

0 1
O -5.109600 -1.898054 -0.047292
O -6.064896 0.302259 -0.152397
O 4.081260 -2.148535 0.322475
O 6.068679 0.052720 0.329718
N 0.077108 -1.421003 0.144349
C -1.871776 0.026964 0.021957
C 0.421039 1.036517 0.081539
C -0.427522 -0.117686 0.083830
C -2.445341 1.352315 -0.041888
C 1.864332 0.838323 0.144502
C 2.359383 -0.512596 0.205391
C -0.185298 2.339091 0.016906
C -2.718725 -1.132975 0.024189
C -1.564309 2.488893 -0.042451
C -4.083800 -0.920788 -0.036634
C -3.872728 1.525999 -0.103715
C -4.653731 0.384498 -0.099338
C 1.399165 -1.592428 0.201485
C 2.809533 1.905677 0.148588
C 3.771301 -0.790211 0.268353
C 4.675682 0.296417 0.269389
C 4.177565 1.628156 0.209606
C -6.388671 -1.149522 -0.121313
C 5.468144 -2.646935 0.393040
H 0.444557 3.233859 0.013579
H -2.263153 -2.123241 0.072848
H -2.003821 3.492090 -0.091216
H -4.313198 2.525316 -0.151919
H 1.766006 -2.621479 0.247892
H 2.480839 2.946537 0.104518
H 4.899025 2.457167 0.211816
H -6.985084 -1.363468 0.782263
H -6.911353 -1.419333 -1.055100
H 6.561312 0.910002 0.322767
H 5.354182 -3.741458 0.423349
H 5.974405 -2.284558 1.302123
H 6.045488 -2.341730 -0.494412


