%chk=000215181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215181

0 1
O 2.331499 -1.431355 -1.366582
O 7.923294 0.364807 0.684299
N 0.126668 -0.076176 -0.228784
C -2.729743 0.460253 -0.771459
C -1.619566 0.790828 -1.786371
C -2.259002 -0.709322 0.110374
C -0.301039 1.101679 -1.063014
C -0.919735 -0.394111 0.796021
C 1.499457 0.178817 0.341780
C -4.045439 0.118871 -1.503650
C 2.493312 -0.104864 -0.835889
C 1.847604 -0.632229 1.606922
C -5.201224 0.002358 -0.548584
C 3.939447 0.037157 -0.422566
C 1.762807 -2.146950 1.455554
C -5.676121 -1.259158 -0.157789
C -5.814768 1.158803 -0.040332
C 4.451709 1.303103 -0.112240
C 4.777831 -1.091672 -0.367918
C -6.751776 -1.360591 0.728668
C -6.889039 1.051515 0.845998
C 5.788184 1.457160 0.267703
C 6.112143 -0.966313 0.004360
C -7.360602 -0.207298 1.232794
C 6.597368 0.314472 0.320096
H -2.906591 1.353062 -0.123318
H -1.907560 1.651058 -2.416699
H -1.470109 -0.064580 -2.474956
H -2.152037 -1.624193 -0.504741
H -3.021647 -0.940214 0.878232
H 0.492488 1.293912 -1.820649
H -0.409386 2.030188 -0.461448
H -1.052178 0.420655 1.538565
H -0.590118 -1.303446 1.353271
H 1.622669 1.261204 0.622796
H -3.921112 -0.815949 -2.086362
H -4.263328 0.900287 -2.260615
H 2.271689 0.589353 -1.687073
H 1.205484 -0.301059 2.446533
H 2.884179 -0.360361 1.905782
H 2.100280 -2.657291 2.362883
H 0.735621 -2.474335 1.242893
H 2.391071 -2.495583 0.620888
H 1.370537 -1.678398 -1.327193
H -5.207479 -2.161358 -0.544974
H -5.453507 2.140770 -0.337494
H 3.811836 2.183124 -0.165901
H 4.364607 -2.071298 -0.631262
H -7.116664 -2.342153 1.026771
H -7.361424 1.951490 1.236178
H 6.183243 2.437041 0.509542
H 6.778983 -1.823897 0.052315
H -8.197865 -0.288382 1.921852
H 8.219051 1.284969 0.884798


%chk=000215181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215181

0 1
O 2.098802 -1.076130 -1.516134
O 8.093123 -0.096110 0.591908
N 0.127663 0.074994 -0.149573
C -2.763375 0.441656 -0.815076
C -1.630479 0.700872 -1.833171
C -2.261354 -0.573882 0.235158
C -0.319161 1.109051 -1.135251
C -0.934498 -0.124522 0.879689
C 1.505593 0.370752 0.391118
C -4.066702 -0.026323 -1.527151
C 2.503565 0.140643 -0.816654
C 1.866392 -0.460789 1.648521
C -5.262154 -0.146381 -0.592585
C 3.974130 0.079264 -0.424769
C 1.855618 -1.999841 1.497591
C -5.711683 -1.409308 -0.128374
C -5.940888 1.016059 -0.139606
C 4.617358 1.228523 0.097534
C 4.737845 -1.098903 -0.612594
C -6.803220 -1.511282 0.764662
C -7.031501 0.920934 0.752819
C 5.983486 1.200079 0.452714
C 6.104315 -1.141162 -0.269541
C -7.466901 -0.345276 1.210161
C 6.725372 0.007994 0.268838
H -2.984896 1.397931 -0.291537
H -1.923898 1.498914 -2.543807
H -1.450712 -0.218395 -2.426212
H -2.105210 -1.557001 -0.254467
H -3.018531 -0.715690 1.029058
H 0.466989 1.244944 -1.896237
H -0.459220 2.092966 -0.620325
H -1.105299 0.821135 1.453839
H -0.605567 -0.891032 1.597127
H 1.578779 1.447874 0.684233
H -3.868274 -1.000407 -2.016938
H -4.294402 0.698264 -2.335260
H 2.393456 1.007069 -1.508373
H 1.200220 -0.160214 2.480677
H 2.881773 -0.145629 1.954186
H 2.076804 -2.473439 2.472176
H 0.879335 -2.381498 1.148346
H 2.614701 -2.331559 0.772069
H 1.121433 -1.161256 -1.268829
H -5.204050 -2.319131 -0.472653
H -5.615609 2.001848 -0.496597
H 4.054369 2.161657 0.227115
H 4.244205 -1.970257 -1.052551
H -7.136191 -2.497064 1.109278
H -7.545344 1.829729 1.086950
H 6.466549 2.098992 0.858706
H 6.702303 -2.045352 -0.418010
H -8.314996 -0.421503 1.899880
H 8.433941 0.761592 0.947928


