%chk=000298587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298587

0 1
O -1.465467 0.213194 -1.890790
O -0.740320 3.368204 -0.772603
N 1.228396 2.174724 -1.393952
C 0.005374 1.002002 -0.140156
C 1.334185 0.743035 -0.940545
C -1.164277 0.063212 -0.484636
C -0.008044 2.414746 -0.790795
C 2.534505 0.398224 -0.105877
C -2.440789 0.332819 0.303713
C -0.682942 -1.376817 -0.322773
C 1.976980 2.858813 -2.442516
C 2.859901 -0.958394 0.058254
C 3.316605 1.379043 0.518109
C -3.402463 -0.688335 0.392166
C -0.517302 -2.201066 -1.442853
C -2.707472 1.574128 0.893938
C -0.388019 -1.868948 0.957559
C 3.962443 -1.324700 0.832835
C 4.422595 1.007253 1.288905
C -4.598358 -0.477397 1.080842
C -0.049303 -3.508802 -1.284478
C -3.905822 1.783405 1.585220
C 0.079361 -3.176414 1.110445
C 4.747919 -0.342804 1.446847
C -4.850923 0.759518 1.683917
C 0.251781 -3.997150 -0.009671
H 0.157882 1.045193 0.955928
H 1.205202 0.026520 -1.786115
H 3.061939 2.766356 -2.258587
H 1.714155 3.932743 -2.448209
H 1.755692 2.444870 -3.442429
H -2.053665 0.987521 -2.036650
H 2.245135 -1.729911 -0.409572
H 3.064310 2.433791 0.405520
H -3.216710 -1.653531 -0.083264
H -0.764047 -1.816269 -2.436573
H -1.999759 2.404150 0.810289
H -0.528270 -1.235650 1.833110
H 4.210542 -2.377351 0.958547
H 5.029462 1.773445 1.768667
H -5.335135 -1.276124 1.146019
H 0.076564 -4.147706 -2.157089
H -4.100683 2.752975 2.041741
H 0.308077 -3.556915 2.104643
H 5.608901 -0.630317 2.047229
H -5.782197 0.924181 2.223116
H 0.615260 -5.015763 0.112573


%chk=000298587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298587

0 1
O -1.528205 0.192284 -1.949973
O -0.760318 3.383544 -0.937050
N 1.234142 2.119777 -1.442527
C -0.025310 0.982846 -0.163154
C 1.330083 0.709175 -0.943758
C -1.212642 0.033945 -0.501885
C 0.003901 2.388488 -0.862169
C 2.566201 0.371212 -0.135550
C -2.482393 0.329755 0.322902
C -0.732285 -1.417233 -0.322739
C 2.051587 2.860082 -2.391961
C 3.098306 -0.941633 -0.172812
C 3.192873 1.344944 0.684368
C -3.482339 -0.672689 0.434617
C -0.590956 -2.285680 -1.430504
C -2.727156 1.604847 0.895291
C -0.395389 -1.888346 0.971417
C 4.233194 -1.278007 0.597733
C 4.330670 1.011667 1.450961
C -4.689837 -0.414900 1.115616
C -0.113606 -3.604825 -1.247196
C -3.935954 1.860246 1.582432
C 0.081951 -3.203360 1.154745
C 4.855090 -0.301879 1.410354
C -4.920141 0.853987 1.698240
C 0.227781 -4.068140 0.043881
H 0.133192 1.043799 0.926855
H 1.173288 -0.020061 -1.759532
H 3.097414 2.930327 -2.041325
H 1.635465 3.877060 -2.488658
H 2.045448 2.378816 -3.388966
H -2.011901 1.052385 -2.056505
H 2.613023 -1.703552 -0.795344
H 2.788883 2.364688 0.714268
H -3.308641 -1.656530 -0.014369
H -0.871629 -1.920603 -2.422069
H -1.998589 2.413583 0.781756
H -0.518429 -1.230755 1.840296
H 4.632674 -2.297737 0.562879
H 4.809429 1.772582 2.077772
H -5.449531 -1.200828 1.193037
H -0.015103 -4.270678 -2.112336
H -4.109295 2.850386 2.018621
H 0.337769 -3.553050 2.161088
H 5.739060 -0.560535 2.004078
H -5.856117 1.055016 2.231621
H 0.595540 -5.090722 0.185552


