%chk=000296082.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296082

0 1
O -0.526586 -4.323689 -0.519363
N 1.048162 0.648967 -0.488771
C -0.371138 0.652257 0.003267
C -1.283051 1.124039 -1.158126
C -0.772077 -0.749115 0.443449
C -2.610558 1.609629 -0.645575
C 2.020808 0.325754 0.604563
C -0.404421 -1.868229 -0.317227
C -1.534624 -0.906380 1.607933
C 3.419125 0.714336 0.192768
C -3.649908 0.699121 -0.399329
C -2.818420 2.977376 -0.410399
C -0.811313 -3.133841 0.115687
C -1.933390 -2.185974 2.018781
C -1.580170 -3.313034 1.284547
C 3.945125 0.267077 -1.029067
C 4.206576 1.509325 1.038013
C -4.883593 1.154423 0.071707
C -4.054979 3.427615 0.060493
C -5.089772 2.518780 0.301544
C 5.246054 0.614051 -1.400400
C 5.509767 1.850287 0.663624
C 6.031329 1.404951 -0.554671
C 0.271035 -4.270926 -1.726620
H -0.501040 1.360208 0.867804
H -0.779316 1.921573 -1.741690
H -1.421022 0.294758 -1.884273
H 1.275155 1.569311 -0.886088
H 1.975217 -0.779377 0.771240
H 1.748605 0.791401 1.578123
H 0.197921 -1.728144 -1.212024
H -1.831850 -0.039473 2.192373
H -3.489345 -0.366009 -0.566585
H -2.019149 3.691238 -0.595605
H -2.528042 -2.298075 2.925694
H -1.876772 -4.313633 1.585432
H 3.328953 -0.347358 -1.686141
H 3.809402 1.861353 1.987797
H -5.686519 0.443630 0.260621
H -4.212047 4.489888 0.239077
H -6.051797 2.871148 0.666413
H 5.650092 0.266604 -2.349668
H 6.119071 2.465102 1.323818
H 7.045317 1.672087 -0.844243
H 1.257540 -3.849194 -1.512807
H -0.252734 -3.705722 -2.502725
H 0.345280 -5.332816 -1.993571


%chk=000296082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296082

0 1
O -0.237230 -4.086669 -0.462938
N 1.019834 0.979741 -0.299622
C -0.390747 0.915406 0.150329
C -1.290951 1.401133 -1.036752
C -0.760940 -0.505719 0.588799
C -2.742264 1.632990 -0.649572
C 2.035734 0.751643 0.750058
C -0.286042 -1.612139 -0.160983
C -1.607083 -0.722865 1.698188
C 3.452221 0.730712 0.186025
C -3.713943 0.610797 -0.798439
C -3.150921 2.880417 -0.109503
C -0.661667 -2.924456 0.204958
C -1.983803 -2.041927 2.053128
C -1.517823 -3.145225 1.314683
C 3.716314 0.204119 -1.104462
C 4.537511 1.210863 0.961475
C -5.058035 0.828387 -0.420062
C -4.493119 3.102857 0.272247
C -5.453028 2.075621 0.116921
C 5.036910 0.153574 -1.604101
C 5.860422 1.154804 0.467010
C 6.115219 0.625550 -0.819325
C 0.669172 -3.915877 -1.600070
H -0.584367 1.598161 1.015457
H -0.857802 2.349627 -1.416860
H -1.209606 0.655521 -1.848477
H 1.211732 1.839934 -0.830797
H 1.809764 -0.228677 1.215635
H 1.979874 1.503725 1.575297
H 0.389329 -1.410215 -0.998719
H -1.978401 0.131344 2.275591
H -3.411837 -0.361370 -1.205499
H -2.413453 3.685874 0.003425
H -2.642850 -2.208901 2.912393
H -1.790393 -4.172429 1.575661
H 2.872903 -0.151388 -1.706205
H 4.346385 1.629661 1.957757
H -5.794977 0.026626 -0.543500
H -4.791458 4.074471 0.682751
H -6.495752 2.246263 0.407871
H 5.226674 -0.253487 -2.604265
H 6.688450 1.528388 1.080296
H 7.139627 0.585541 -1.206554
H 1.613025 -3.423892 -1.293339
H 0.194317 -3.328057 -2.410087
H 0.879978 -4.935158 -1.956025


