%chk=000221837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221837

0 1
O 1.224506 2.652354 0.440972
N 0.071467 0.782360 -0.209903
C -3.297564 -0.940792 0.656481
C -1.867435 -0.391150 0.835586
C -1.244176 0.127838 -0.468714
C -3.341749 -2.108347 -0.335795
C -4.281797 0.161644 0.246427
C 1.230255 -0.081685 -0.149751
C 0.157081 2.154713 0.129898
C 2.235157 0.122904 0.814064
C 1.347905 -1.139854 -1.072089
C -1.105770 2.967953 0.056444
C 3.339752 -0.728888 0.849781
C 2.457526 -1.984642 -1.017664
C 3.454782 -1.786475 -0.058376
H -3.619856 -1.331376 1.657840
H -1.877430 0.411747 1.598116
H -1.218988 -1.184514 1.260189
H -1.100711 -0.714231 -1.185528
H -1.925861 0.841073 -0.979801
H -3.146032 -1.784913 -1.363113
H -2.601183 -2.875844 -0.084526
H -4.325878 -2.590672 -0.333374
H -4.274289 0.992202 0.959726
H -5.307486 -0.222855 0.203903
H -4.051490 0.570899 -0.742639
H 2.168384 0.960501 1.512691
H 0.584455 -1.296928 -1.831713
H -1.896902 2.584834 0.713740
H -1.504822 3.022706 -0.964938
H -0.891598 4.003212 0.372207
H 4.119137 -0.563960 1.593555
H 2.546520 -2.800990 -1.733267
H 4.317690 -2.446522 -0.021927


%chk=000221837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221837

0 1
O 1.364287 2.735858 0.284840
N 0.068794 0.853780 -0.238729
C -3.271933 -0.987221 0.698974
C -1.870877 -0.328329 0.849327
C -1.275210 0.248696 -0.458518
C -3.252836 -2.210081 -0.251353
C -4.361048 0.029524 0.275083
C 1.200780 -0.050529 -0.173224
C 0.232525 2.225669 0.028374
C 2.121518 0.014128 0.903418
C 1.385723 -1.024488 -1.187071
C -1.019233 3.105481 -0.034713
C 3.203228 -0.889918 0.962869
C 2.465205 -1.932464 -1.116286
C 3.379664 -1.870748 -0.040607
H -3.543426 -1.359500 1.709436
H -1.932867 0.485716 1.599962
H -1.159351 -1.076184 1.251927
H -1.179782 -0.553912 -1.208397
H -1.945145 1.007918 -0.890442
H -3.089871 -1.907367 -1.302870
H -2.452907 -2.921409 0.026585
H -4.216780 -2.750074 -0.211978
H -4.381271 0.904371 0.952360
H -5.363013 -0.437393 0.297962
H -4.195814 0.398667 -0.754889
H 1.998702 0.778067 1.674097
H 0.704747 -1.060927 -2.044494
H -1.832262 2.741106 0.618203
H -1.413326 3.177770 -1.065373
H -0.721380 4.112032 0.293547
H 3.909462 -0.827630 1.798265
H 2.597062 -2.677086 -1.909280
H 4.220237 -2.571220 0.011494


