%chk=000231874.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231874

0 1
O -2.068419 2.019150 -0.343109
N 1.427309 2.499362 -1.209796
N -1.184287 0.350431 0.955189
C 1.150998 0.299315 -0.051397
C 0.993140 1.076982 -1.398209
C 0.182678 0.913123 1.014837
C 0.782455 -1.178815 -0.204159
C 2.609092 0.422621 0.389515
C 1.067559 -2.055727 0.860960
C 3.564605 -0.482497 -0.104801
C 0.130059 -1.685670 -1.335275
C 3.033927 1.457844 1.236273
C 2.726720 2.766849 -1.894443
C 0.382443 3.452157 -1.684939
C 0.716189 -3.403162 0.788496
C 4.905325 -0.376569 0.270936
C -0.220155 -3.039516 -1.407410
C 4.376613 1.560556 1.612716
C -2.197680 0.929462 0.193801
C 0.069405 -3.901504 -0.348804
C 5.315409 0.641171 1.137795
C -3.471848 0.136441 0.147170
C -4.668741 0.768577 0.508385
C -3.475424 -1.196067 -0.284879
C -5.871037 0.057683 0.452445
C -4.681541 -1.899772 -0.343344
C -5.877259 -1.275167 0.028260
H 1.576844 0.556007 -2.185083
H -0.076463 1.030073 -1.704517
H 0.577593 0.731161 2.038373
H 0.130768 2.022204 0.868896
H -1.288827 -0.596437 1.315388
H 1.582163 -1.679506 1.745967
H 3.263305 -1.277731 -0.786446
H -0.116575 -1.038504 -2.176041
H 2.328426 2.215894 1.576776
H 2.702946 2.668875 -2.988857
H 3.051408 3.790195 -1.647209
H 3.493669 2.080950 -1.495995
H -0.571943 3.236213 -1.159732
H 0.679619 4.473811 -1.404125
H 0.188280 3.430843 -2.765669
H 0.948647 -4.070327 1.617445
H 5.632676 -1.088898 -0.113997
H -0.718576 -3.419077 -2.298383
H 4.690411 2.366500 2.273842
H -0.201161 -4.953500 -0.406627
H 6.358425 0.720081 1.434624
H -4.656765 1.813934 0.822524
H -2.545274 -1.682528 -0.584377
H -6.803048 0.544940 0.735066
H -4.689865 -2.935089 -0.680024
H -6.815419 -1.827044 -0.016334


%chk=000231874-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231874

0 1
O -2.148446 2.275095 0.592863
N 1.284283 2.365778 -1.293737
N -1.163532 0.169216 0.763719
C 1.230708 0.121803 -0.063748
C 0.985304 0.923437 -1.402803
C 0.201695 0.650083 1.002371
C 0.979130 -1.395086 -0.248557
C 2.673649 0.382985 0.417294
C 1.289491 -2.280627 0.821950
C 3.747109 -0.398041 -0.089398
C 0.380032 -1.948997 -1.409856
C 2.985171 1.456066 1.292742
C 2.571710 2.761033 -1.899545
C 0.175168 3.258873 -1.695651
C 1.013650 -3.661269 0.738201
C 5.084654 -0.123811 0.269156
C 0.108274 -3.335675 -1.502134
C 4.323050 1.730901 1.657452
C -2.249295 1.004199 0.566370
C 0.420291 -4.198714 -0.429174
C 5.380302 0.943962 1.148705
C -3.576480 0.324070 0.326076
C -4.749711 1.086920 0.556012
C -3.698868 -1.012672 -0.138242
C -6.023970 0.518571 0.351912
C -4.975639 -1.579417 -0.347195
C -6.141176 -0.818733 -0.096381
H 1.585903 0.451181 -2.211895
H -0.081156 0.799273 -1.674130
H 0.529469 0.340366 2.013665
H 0.169007 1.751758 0.963589
H -1.315340 -0.839576 0.811160
H 1.767870 -1.879681 1.723535
H 3.533407 -1.232278 -0.767655
H 0.121818 -1.308024 -2.257774
H 2.190570 2.102653 1.674303
H 2.564537 2.693190 -3.017370
H 2.804143 3.805849 -1.624331
H 3.385926 2.122749 -1.520381
H -0.734115 3.021344 -1.118542
H 0.451829 4.303984 -1.464502
H -0.061387 3.204384 -2.788378
H 1.265371 -4.317832 1.578772
H 5.893825 -0.741929 -0.136615
H -0.346927 -3.737866 -2.414664
H 4.538228 2.566620 2.333293
H 0.209386 -5.271535 -0.500322
H 6.417271 1.158744 1.430769
H -4.631829 2.123562 0.887936
H -2.810637 -1.611434 -0.376479
H -6.923832 1.114620 0.539572
H -5.060421 -2.608717 -0.712831
H -7.130669 -1.261056 -0.257425


