%chk=000238689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238689

0 1
O 1.040594 1.996556 -1.026705
N -1.439636 0.651040 1.103591
N -0.747886 1.665961 0.387347
N 1.192535 0.203814 0.446812
C -2.424931 -0.109299 0.345693
C -1.918206 1.223981 2.401039
C 0.545168 1.298052 -0.156641
C -1.554131 2.571748 -0.483244
C -3.709628 -0.382368 0.846319
C -2.016724 -0.685679 -0.875467
C 2.542187 -0.194915 0.191341
C -4.564229 -1.234204 0.139962
C -2.883731 -1.527903 -1.570399
C -4.159598 -1.807190 -1.067425
C 3.020726 -1.312650 0.909486
C 3.372759 0.467674 -0.728706
C 4.326549 -1.753220 0.694994
C 4.675358 0.007889 -0.925264
C 5.158353 -1.098820 -0.219514
H -2.784323 1.896657 2.314701
H -1.095502 1.794779 2.870081
H -2.168070 0.385867 3.072611
H -0.876696 3.313949 -0.951152
H -2.279997 3.116065 0.139646
H -2.089872 2.047558 -1.290302
H -4.057481 0.054311 1.779056
H -1.023175 -0.492218 -1.278744
H 0.686012 -0.327925 1.166727
H -5.556602 -1.447210 0.537148
H -2.561434 -1.973391 -2.512022
H -4.830031 -2.466568 -1.614047
H 2.385318 -1.830964 1.622366
H 3.004220 1.335737 -1.285845
H 4.699269 -2.615680 1.246875
H 5.320651 0.521107 -1.638553
H 6.174583 -1.448443 -0.380468


%chk=000238689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238689

0 1
O 1.195993 2.312596 -1.054157
N -1.444809 0.718643 0.830943
N -0.801113 1.625617 -0.049186
N 1.129819 0.323908 0.235315
C -2.410190 -0.165642 0.244031
C -1.654738 1.229876 2.205258
C 0.579383 1.467997 -0.337204
C -1.550495 2.779578 -0.573442
C -3.443714 -0.746684 1.029142
C -2.311607 -0.509659 -1.134033
C 2.471406 -0.132797 0.159309
C -4.347761 -1.661039 0.444068
C -3.225621 -1.417662 -1.703937
C -4.249336 -2.004355 -0.922197
C 2.778079 -1.357825 0.814273
C 3.498263 0.571125 -0.526343
C 4.089949 -1.871714 0.786582
C 4.806841 0.041919 -0.543362
C 5.116542 -1.174595 0.107186
H -2.591681 1.815963 2.310771
H -0.798580 1.872043 2.464520
H -1.685192 0.389801 2.920661
H -0.878888 3.326997 -1.252003
H -1.866124 3.458599 0.241622
H -2.443286 2.438661 -1.128466
H -3.553615 -0.491843 2.086996
H -1.519952 -0.066068 -1.745812
H 0.458682 -0.248978 0.759375
H -5.137479 -2.100582 1.064052
H -3.133675 -1.670821 -2.766144
H -4.955487 -2.710757 -1.370486
H 1.986143 -1.906654 1.340524
H 3.256899 1.508052 -1.031888
H 4.308950 -2.817445 1.295042
H 5.592502 0.591204 -1.074881
H 6.136292 -1.573360 0.085169


