%chk=000180356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180356

0 1
O -1.676177 -0.447980 0.642059
O -2.591483 1.493325 -0.183648
O 0.486770 -2.062482 -1.199778
N -0.470600 1.454985 0.782453
N 2.299023 -2.053088 0.154558
C -0.100436 2.852234 0.390241
C 0.783399 0.652302 0.914138
C 1.188194 3.083240 1.217534
C 1.796655 1.686743 1.475244
C 0.107829 2.989532 -1.130838
C 1.206472 0.094503 -0.432429
C 1.363773 2.303120 -1.682677
C 1.402889 0.810836 -1.548735
C -1.670287 0.877882 0.321852
C 1.271739 -1.401979 -0.527169
C -2.726469 -1.362133 0.083507
C -2.660238 -1.274840 -1.432038
C -2.209899 -2.693858 0.620177
C -4.069426 -0.950266 0.665037
C 2.356770 -3.532272 0.154770
C 3.309548 -1.364407 0.980120
H -0.927264 3.534376 0.709895
H 0.589179 -0.177865 1.639812
H 0.940723 3.578654 2.172865
H 1.894207 3.745567 0.693017
H 2.782557 1.584535 0.994332
H 1.948417 1.523445 2.555329
H 0.140995 4.065172 -1.392218
H -0.794045 2.588995 -1.646567
H 2.268426 2.724572 -1.189622
H 1.461666 2.577527 -2.755650
H 1.646416 0.291157 -2.484460
H -1.624644 -1.441810 -1.783075
H -3.292126 -2.027977 -1.910271
H -2.976865 -0.288672 -1.798049
H -1.220348 -2.921159 0.186472
H -2.886402 -3.513824 0.364987
H -2.088510 -2.668585 1.708458
H -4.344268 0.066249 0.335669
H -4.869137 -1.627437 0.352050
H -4.047205 -0.931435 1.760242
H 1.532041 -3.942916 -0.463934
H 2.250547 -3.932909 1.175107
H 3.307300 -3.885271 -0.275995
H 4.267133 -1.912254 0.958667
H 2.982066 -1.287481 2.031577
H 3.505696 -0.346656 0.599485


%chk=000180356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180356

0 1
O -1.516399 -0.504755 0.567820
O -2.611106 1.497749 -0.097378
O 0.893545 -1.923999 -1.711991
N -0.373305 1.463035 0.571354
N 2.142038 -2.095674 0.244755
C -0.115793 2.889738 0.264580
C 0.902748 0.738674 0.785971
C 1.064975 3.203978 1.220724
C 1.828352 1.850774 1.400297
C 0.206988 3.095554 -1.239789
C 1.405444 0.152106 -0.551503
C 1.524378 2.442846 -1.748839
C 1.621274 0.925957 -1.655598
C -1.589931 0.868163 0.301734
C 1.466277 -1.351176 -0.725247
C -2.648195 -1.431083 0.140353
C -2.838616 -1.319631 -1.385783
C -2.090194 -2.810958 0.531830
C -3.923278 -1.084859 0.935105
C 2.085111 -3.565133 0.188315
C 3.059119 -1.528709 1.241087
H -1.021048 3.471176 0.508543
H 0.724598 -0.081431 1.498406
H 0.669169 3.549046 2.191299
H 1.715533 4.001202 0.819171
H 2.808054 1.866478 0.892230
H 2.011068 1.645712 2.469079
H 0.269202 4.185978 -1.430375
H -0.649263 2.713586 -1.826018
H 2.381203 2.899175 -1.207564
H 1.655755 2.734611 -2.807229
H 1.891488 0.396255 -2.579620
H -1.875395 -1.489878 -1.898896
H -3.556788 -2.090006 -1.722618
H -3.231984 -0.328236 -1.662382
H -1.159266 -3.015984 -0.023687
H -2.828822 -3.595542 0.287291
H -1.879232 -2.851645 1.615179
H -4.282627 -0.077603 0.673320
H -4.713983 -1.821846 0.701418
H -3.723487 -1.124566 2.021071
H 1.373825 -3.852980 -0.600390
H 1.755274 -3.975100 1.162118
H 3.078098 -3.991199 -0.056847
H 4.045592 -2.028338 1.169400
H 2.680904 -1.666558 2.273878
H 3.213299 -0.455510 1.057925


