%chk=000197430.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197430

1 1
O 0.240307 0.121591 0.542857
O 0.550502 0.334900 -1.720164
O -8.073611 -0.540273 -1.323492
N 5.167877 0.158278 0.459382
N -6.233362 0.921829 -1.845169
C 4.354203 1.149793 1.002679
C 4.659985 -0.812113 -0.405886
C 2.953415 1.171284 0.676697
C 3.267124 -0.784198 -0.757132
C 2.436669 0.206573 -0.202393
C 4.882757 2.151450 1.884453
C 5.503503 -1.834977 -0.954185
C 2.130533 2.197222 1.275935
C 2.776499 -1.781638 -1.678896
C 6.614906 0.116698 0.795992
C 0.975361 0.234698 -0.602346
C 4.064422 3.110683 2.418075
C 4.987006 -2.767415 -1.816023
C 2.665305 3.131597 2.112851
C 3.605528 -2.738166 -2.188191
C -5.422414 -0.127446 0.930290
C -3.926614 -0.072528 0.778050
C -1.184323 0.055215 0.512183
C -6.092524 -0.930333 -0.194877
C -3.099225 -0.736752 1.699563
C -3.352708 0.649110 -0.283318
C -1.708918 -0.683754 1.575164
C -1.965879 0.721126 -0.430393
C -6.773881 -0.053346 -1.214861
C -8.975955 0.077058 -2.266736
H 5.951095 2.144441 2.129525
H 6.562215 -1.879016 -0.690309
H 1.054504 2.195179 1.051997
H 1.718959 -1.745570 -1.975378
H 7.237606 0.217489 -0.116446
H 6.915867 0.939637 1.478338
H 6.875795 -0.832155 1.307671
H 4.466421 3.878370 3.090616
H 5.627140 -3.551992 -2.238182
H 2.040086 3.908702 2.566552
H 3.233021 -3.493876 -2.889033
H -5.704233 -0.568261 1.909200
H -5.826699 0.910011 0.960175
H -5.352814 -1.574276 -0.720397
H -6.843111 -1.634136 0.235379
H -3.539523 -1.303826 2.521120
H -4.004769 1.155364 -1.010189
H -1.054893 -1.191485 2.280243
H -1.523448 1.266872 -1.264128
H -6.750939 1.465421 -2.525809
H -8.597059 -0.031049 -3.286801
H -9.152085 1.122621 -1.999194
H -9.892525 -0.515029 -2.130960


%chk=000197430-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197430

1 1
O 0.087488 0.461592 0.550323
O 0.482758 1.069048 -1.694673
O -7.170187 -1.587711 -1.423292
N 5.018501 -0.181446 0.418235
N -6.391097 0.714915 -1.623646
C 4.363096 0.832617 1.125786
C 4.434432 -0.797685 -0.695009
C 2.973240 1.131803 0.820778
C 3.050411 -0.506073 -1.031710
C 2.321668 0.422718 -0.230291
C 5.033252 1.582370 2.139575
C 5.172847 -1.714242 -1.503666
C 2.310735 2.164524 1.574604
C 2.457016 -1.186787 -2.153781
C 6.371272 -0.622716 0.861322
C 0.873356 0.701280 -0.564103
C 4.352088 2.580656 2.841509
C 4.559991 -2.344144 -2.590101
C 2.980341 2.871982 2.566600
C 3.190504 -2.092538 -2.912000
C -5.655117 0.704215 1.185646
C -4.149739 0.654003 0.973633
C -1.356014 0.550216 0.588390
C -6.421404 -0.486980 0.550361
C -3.305810 0.032729 1.934984
C -3.550616 1.222744 -0.182006
C -1.910833 -0.023899 1.751175
C -2.155290 1.180211 -0.393021
C -6.637672 -0.368350 -0.947455
C -7.531005 -1.657217 -2.849981
H 6.090755 1.422547 2.354789
H 6.229123 -1.910237 -1.314129
H 1.265646 2.391897 1.354414
H 1.422856 -0.960386 -2.421865
H 7.163709 -0.059170 0.339504
H 6.468892 -0.481509 1.945135
H 6.489330 -1.696619 0.665418
H 4.885555 3.157651 3.603572
H 5.144098 -3.032916 -3.208679
H 2.467571 3.658566 3.126841
H 2.729519 -2.598987 -3.764382
H -5.869054 0.702979 2.270587
H -6.064908 1.637141 0.761348
H -5.914919 -1.448164 0.756392
H -7.423434 -0.567245 1.015257
H -3.744602 -0.403315 2.839725
H -4.203409 1.689846 -0.926408
H -1.253995 -0.495234 2.488287
H -1.715577 1.621671 -1.288022
H -6.617163 0.686534 -2.635351
H -6.643765 -1.507164 -3.494419
H -8.311133 -0.913657 -3.100577
H -7.926208 -2.672463 -2.991520


