%chk=000258750.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258750

0 1
O 1.991803 -2.869507 0.566478
N -2.155803 1.931650 0.012014
N 2.766862 2.185056 0.007922
N 2.746462 -0.815010 -0.165095
C -0.890496 -0.014462 -0.044156
C -0.836183 1.420722 -0.013783
C -2.294213 -0.385103 -0.029759
C -3.050969 0.838770 0.004984
C 1.563540 1.357976 -0.035963
C 0.381968 2.105083 -0.008561
C 1.518426 -0.073805 -0.088302
C 0.290413 -0.750546 -0.084045
C -2.966774 -1.608214 -0.040617
C -4.452282 0.839206 0.025192
C -4.361137 -1.605748 -0.020164
C -5.088606 -0.399738 0.011805
C 3.545329 1.976379 1.262863
C 3.611826 2.043788 -1.211907
C 2.908482 -2.170212 0.183341
C 4.322379 -2.666087 0.027991
H -2.406155 2.899455 0.045219
H 0.426218 3.192879 0.023732
H 0.251483 -1.845508 -0.098335
H -2.405595 -2.541242 -0.062411
H -5.016763 1.764211 0.050879
H 3.560967 -0.287927 -0.495334
H -4.901593 -2.549785 -0.027652
H -6.177789 -0.440859 0.027150
H 4.041378 1.001096 1.358562
H 4.308785 2.768160 1.334741
H 2.866683 2.096280 2.125658
H 4.154484 1.088751 -1.303385
H 2.978905 2.170415 -2.106972
H 4.351260 2.862436 -1.216095
H 4.674656 -2.614111 -1.009858
H 4.374162 -3.727128 0.328051
H 5.033685 -2.123218 0.662213


%chk=000258750-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258750

0 1
O 2.025692 -3.264859 -0.511005
N -1.984845 1.882040 0.306415
N 3.058103 1.573436 0.205123
N 2.762414 -1.097376 0.002489
C -0.870335 -0.115756 0.007359
C -0.709521 1.295220 0.219796
C -2.305048 -0.376141 -0.038171
C -2.967185 0.887818 0.150576
C 1.698797 1.063607 0.169447
C 0.564382 1.894496 0.292531
C 1.545919 -0.362254 0.005141
C 0.265286 -0.950265 -0.095103
C -3.081456 -1.544443 -0.220075
C -4.372937 1.001908 0.159336
C -4.488738 -1.439136 -0.212125
C -5.125030 -0.179526 -0.024376
C 3.306007 2.710759 1.115564
C 3.645433 1.789246 -1.146549
C 2.958716 -2.453504 -0.217875
C 4.408383 -2.918597 -0.079581
H -2.169338 2.871892 0.448987
H 0.681487 2.975180 0.424610
H 0.187626 -2.030356 -0.233964
H -2.597703 -2.516297 -0.366991
H -4.870944 1.967208 0.303332
H 3.561339 -0.499790 0.261498
H -5.102240 -2.335541 -0.352599
H -6.219560 -0.124774 -0.022212
H 4.396439 2.843312 1.237797
H 2.890239 3.677378 0.744436
H 2.866319 2.497342 2.103609
H 4.733009 1.964360 -1.055334
H 3.482308 0.895767 -1.772191
H 3.190016 2.662333 -1.667526
H 4.711846 -3.428019 -1.010382
H 4.471685 -3.662167 0.734238
H 5.119235 -2.100401 0.130173


