%chk=000290206.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290206

0 1
O -4.216463 -1.437538 -0.842645
N -4.508186 1.103583 0.049961
N 5.579647 0.919544 0.500109
N 1.275471 -0.987282 0.024293
N 3.670100 2.492266 0.422139
N 1.502637 1.392940 0.178641
C -3.300595 0.811252 0.895086
C -2.395798 -0.180704 0.207386
C 3.489174 0.003525 0.268550
C -4.154316 1.975776 -1.122532
C -5.627367 1.685636 0.863659
C 4.452630 -1.069270 0.294649
C 5.713361 -0.497819 0.434441
C 4.228882 1.230452 0.400885
C 2.070746 0.141432 0.151450
C -0.147602 -1.020543 -0.180675
C -1.012825 -0.079598 0.395783
C -2.896148 -1.243199 -0.578448
C -0.660473 -2.086507 -0.952510
C -5.165087 1.758309 -2.247376
C -6.291241 0.592482 1.700102
C 4.158501 -2.514773 0.193536
C -2.029583 -2.199364 -1.147666
C 7.043347 -1.136013 0.516605
C 2.323270 2.489437 0.308535
H -3.641651 0.360677 1.859101
H -2.737674 1.733042 1.164228
H -4.099385 3.050715 -0.849588
H -3.138011 1.689764 -1.483203
H -5.287666 2.518152 1.517000
H -6.378056 2.119015 0.163845
H -0.605272 0.743145 0.990948
H 6.327607 1.581480 0.601149
H 1.757260 -1.883461 -0.062479
H 0.008221 -2.816903 -1.403990
H -5.212485 0.698678 -2.537618
H -6.178489 2.060071 -1.960951
H -4.884642 2.329933 -3.139213
H -6.639166 -0.238352 1.071671
H -5.605060 0.164684 2.441404
H -7.160038 0.985245 2.239789
H 5.060824 -3.130245 0.322693
H 3.446647 -2.835387 0.969176
H 3.740097 -2.770462 -0.791411
H -2.455414 -3.007742 -1.739169
H 7.868953 -0.413211 0.569775
H 7.119609 -1.777822 1.409102
H 7.231601 -1.772373 -0.362992
H 1.811480 3.465767 0.318329
H -4.781973 -0.615933 -0.541455


%chk=000290206-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290206

0 1
O -4.298003 -1.426664 -0.469887
N -4.592432 1.101528 -0.096775
N 5.674308 0.769853 0.845459
N 1.311937 -0.843103 0.048841
N 3.838173 2.303560 1.378543
N 1.620483 1.361235 0.927385
C -3.344876 1.012396 0.749005
C -2.388312 -0.053574 0.230032
C 3.575689 -0.009219 0.462289
C -4.301532 1.745399 -1.423394
C -5.719805 1.764372 0.632315
C 4.518247 -1.052116 0.089160
C 5.801653 -0.539477 0.337478
C 4.333472 1.110934 0.929257
C 2.148157 0.174053 0.480847
C -0.108431 -0.923284 -0.040413
C -0.993381 0.115033 0.350160
C -2.925198 -1.263542 -0.312460
C -0.651966 -2.133333 -0.556782
C -5.334137 1.378330 -2.503914
C -6.395381 0.841178 1.663529
C 4.197861 -2.423270 -0.458079
C -2.040837 -2.299922 -0.697463
C 7.162319 -1.147795 0.151387
C 2.479322 2.343352 1.344299
H -3.672267 0.740594 1.770953
H -2.838760 1.999774 0.815810
H -4.233038 2.850158 -1.300869
H -3.304611 1.390317 -1.740773
H -5.356965 2.696185 1.124390
H -6.467906 2.068758 -0.120369
H -0.564394 1.036662 0.751196
H 6.437815 1.387649 1.116310
H 1.796405 -1.684249 -0.267716
H 0.019537 -2.948482 -0.859748
H -5.372936 0.283593 -2.642273
H -6.350492 1.734414 -2.255747
H -5.047962 1.838759 -3.466963
H -6.778781 -0.072488 1.176795
H -5.702820 0.531956 2.466192
H -7.243655 1.365478 2.140060
H 5.114961 -3.008442 -0.642209
H 3.581319 -3.017508 0.245794
H 3.659061 -2.369818 -1.425384
H -2.461935 -3.224054 -1.104564
H 7.779651 -0.564860 -0.559510
H 7.720161 -1.206017 1.106167
H 7.082091 -2.172328 -0.245782
H 2.010541 3.269334 1.691026
H -4.702951 -0.448808 -0.333508


