%chk=000182508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182508

0 1
O 2.396017 -1.683863 -0.127298
O -1.329371 -0.883924 -1.234428
N 1.653294 0.460572 0.276426
N -1.681436 0.232833 0.757695
C 0.116506 -1.419648 0.604909
C -0.034689 -2.039210 2.013415
C -0.066194 -2.886891 0.819897
C 1.497814 -0.939337 0.198314
C -1.028267 -0.701416 -0.075085
C -0.163157 -4.055364 0.201623
C -0.085357 -4.130576 -1.286744
C -0.348367 -5.331524 0.953774
C 2.844248 1.191688 -0.047855
C -2.800101 1.052808 0.390101
C 2.772770 2.599353 0.030783
C -3.369862 1.854512 1.401885
C 4.043735 0.560807 -0.417367
C -3.311179 1.086886 -0.917768
C 3.906407 3.358276 -0.259318
C -4.446202 2.685256 1.089156
C 5.165009 1.341633 -0.703652
C -4.389208 1.925574 -1.206490
C 5.104778 2.736333 -0.625657
C -4.959475 2.725585 -0.211425
H -0.948101 -1.865646 2.582336
H 0.841410 -2.055269 2.667316
H 0.966291 -4.169852 -1.615940
H -0.597589 -5.006369 -1.699412
H -0.521582 -3.233493 -1.764188
H -1.317263 -5.794090 0.715737
H 0.433298 -6.059749 0.689983
H -0.309328 -5.192969 2.042569
H 0.847924 1.037051 0.531586
H -1.408688 0.277894 1.742831
H 1.847450 3.096909 0.308258
H -2.983947 1.832679 2.417057
H 4.101723 -0.530330 -0.485954
H -2.874159 0.462427 -1.704092
H 3.854712 4.445195 -0.200760
H -4.889342 3.306579 1.867233
H 6.096132 0.853033 -0.991794
H -4.787453 1.953345 -2.221376
H 5.983780 3.334895 -0.850705
H -5.798681 3.375600 -0.447174


%chk=000182508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182508

0 1
O 2.396822 -0.834523 1.952659
O -0.698026 0.464283 -0.760259
N 1.939639 0.281545 -0.070896
N -2.053601 0.208641 1.133617
C 0.123524 -0.938679 1.052971
C -0.215745 -1.886846 2.261903
C -0.081241 -2.436351 0.893782
C 1.599011 -0.475984 1.032232
C -0.905799 -0.029990 0.404133
C -0.091457 -3.459507 0.018525
C 0.173346 -3.246347 -1.461092
C -0.363737 -4.881446 0.477126
C 3.206293 0.835213 -0.404424
C -3.222468 0.939658 0.762555
C 3.275953 1.610756 -1.594745
C -4.261370 1.025891 1.728362
C 4.376350 0.644543 0.379787
C -3.379546 1.566014 -0.502179
C 4.496884 2.186736 -1.997707
C -5.446574 1.729077 1.435263
C 5.591357 1.230120 -0.037984
C -4.574337 2.264935 -0.780029
C 5.665084 2.000391 -1.221181
C -5.611091 2.353586 0.176564
H -1.204966 -1.851108 2.738774
H 0.624605 -2.001987 2.958431
H 1.082161 -3.795907 -1.775716
H -0.664812 -3.639529 -2.068965
H 0.306862 -2.179939 -1.705375
H -1.256156 -5.294444 -0.033047
H 0.486824 -5.541819 0.217672
H -0.525834 -4.936709 1.566291
H 1.148313 0.477297 -0.713274
H -2.062456 -0.182944 2.077824
H 2.371552 1.760684 -2.197602
H -4.140841 0.544167 2.707696
H 4.317300 0.048624 1.292243
H -2.575200 1.502837 -1.236332
H 4.535457 2.782195 -2.916728
H -6.239397 1.789108 2.188680
H 6.489693 1.079573 0.571629
H -4.691041 2.746883 -1.757080
H 6.614440 2.448510 -1.533597
H -6.531473 2.900994 -0.052106


