%chk=000275964.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275964

0 1
O 0.012423 -1.946327 0.780341
O 1.956955 2.153548 0.401847
O -2.860218 -0.012534 -3.093050
O 4.020150 -1.659360 -2.424422
O 4.235560 0.385094 2.562492
O -0.074127 3.036236 -0.203240
N -1.300320 -0.697063 -1.545706
N 1.564448 -1.369302 -0.832528
N 6.520868 -0.575517 1.529495
N 1.867188 3.500003 -1.402332
C -0.369627 0.065032 -0.669704
C -0.041363 -0.202362 -2.155551
C 0.586441 -0.783569 0.182482
C 1.052575 -1.273758 -2.231416
C 1.504939 -0.093397 1.260914
C 2.854259 -1.048900 -0.451588
C 2.894471 -0.440054 0.782167
C -2.614879 -0.252598 -1.929112
C 1.343149 1.404851 1.499810
C 4.110485 -1.353087 -1.252551
C 4.115403 -0.179255 1.490564
C -1.196747 -1.733441 1.534332
C -3.593074 -0.273476 -0.818438
C 5.355153 -1.200343 -0.502164
C 5.384342 -0.683136 0.769191
C 6.596240 -1.641394 -1.208066
C -4.817294 0.251186 -0.965681
C 1.126632 2.929297 -0.379324
C -5.834933 0.259571 0.097309
C -6.058644 -0.875265 0.893745
C -6.601750 1.419176 0.306288
C -7.036969 -0.847109 1.891253
C -7.570939 1.443229 1.311221
C -7.790890 0.311107 2.103748
H -0.665841 1.046185 -0.272754
H -0.055496 0.564478 -2.934010
H 1.862515 -1.028911 -2.952689
H 0.631235 -2.268130 -2.517747
H 1.309852 -0.617019 2.237158
H 1.969529 1.725809 2.362126
H 0.293780 1.718166 1.639985
H -1.044377 -0.993808 2.323400
H -2.025333 -1.449167 0.867961
H -1.373467 -2.731926 1.957579
H -3.253046 -0.746957 0.111564
H 7.065384 -2.497028 -0.704327
H 6.372165 -1.967005 -2.239680
H 7.332322 -0.831928 -1.289786
H -5.118375 0.719884 -1.914292
H 7.424949 -0.793777 1.153146
H 6.483423 -0.094087 2.419692
H 1.458436 4.257357 -1.932349
H 2.875490 3.440213 -1.394730
H -5.478853 -1.781947 0.724562
H -6.435622 2.301938 -0.310314
H -7.212315 -1.730819 2.503443
H -8.159078 2.345232 1.476084
H -8.550685 0.331763 2.883552


%chk=000275964-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275964

0 1
O 0.203338 -2.139315 0.559078
O 1.975524 2.080873 0.439122
O -2.909435 0.017212 -3.016059
O 4.031036 -1.684195 -2.579747
O 4.426986 -0.099265 2.710562
O -0.100839 3.213338 0.379595
N -1.303392 -0.625229 -1.446327
N 1.670174 -1.116116 -0.951937
N 6.646370 -0.828245 1.425332
N 1.693545 3.798765 -1.015185
C -0.340119 0.086655 -0.540495
C -0.098611 -0.026752 -2.060239
C 0.712204 -0.813759 0.151777
C 1.087638 -0.974523 -2.304903
C 1.626753 -0.229627 1.299993
C 2.960404 -1.058574 -0.504610
C 3.016918 -0.637088 0.823745
C -2.617163 -0.208518 -1.801764
C 1.537674 1.277018 1.610396
C 4.173722 -1.375667 -1.339295
C 4.261784 -0.523704 1.502601
C -0.916109 -2.110130 1.502452
C -3.587515 -0.145480 -0.683854
C 5.454918 -1.304897 -0.656273
C 5.497604 -0.920867 0.689335
C 6.712974 -1.650012 -1.424695
C -4.894337 0.186225 -0.919899
C 1.080211 3.060508 -0.031531
C -5.981360 0.303860 0.060101
C -5.801025 0.096488 1.459759
C -7.284085 0.641834 -0.408776
C -6.883613 0.222394 2.350689
C -8.369115 0.767474 0.483102
C -8.173190 0.558029 1.867720
H -0.650280 1.033822 -0.086683
H -0.257363 0.825251 -2.728693
H 1.839397 -0.561674 -2.994336
H 0.747872 -1.948983 -2.695216
H 1.365204 -0.748487 2.242049
H 2.248163 1.509293 2.421261
H 0.517910 1.591613 1.896569
H -0.699367 -1.490703 2.397969
H -1.840607 -1.750350 1.015321
H -1.056769 -3.156068 1.815485
H -3.216901 -0.359841 0.324478
H 7.243460 -2.517614 -0.983061
H 6.445001 -1.911952 -2.460885
H 7.425561 -0.801331 -1.462267
H -5.155263 0.382086 -1.970664
H 7.561475 -1.048180 1.041451
H 6.536013 -0.504376 2.392926
H 1.170497 4.545924 -1.463281
H 2.664857 3.621383 -1.261026
H -4.810789 -0.161261 1.851527
H -7.437188 0.804332 -1.482672
H -6.728651 0.061203 3.423291
H -9.362597 1.027558 0.102127
H -9.013006 0.655245 2.564463


