%chk=000281832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281832

0 1
O 0.804276 -1.609156 1.643353
O 2.267273 1.673310 0.349923
O -3.749917 -1.776646 -0.794609
O -1.636623 3.004103 0.494598
O 3.423289 0.315962 -1.103636
N 0.654745 -1.349399 -2.112424
N -0.986609 -1.617646 0.182602
N -4.320559 2.821023 0.476416
N 4.509230 1.721800 0.420813
C 1.246029 -1.583083 -0.753054
C 0.428425 -2.674440 -1.448083
C 0.403723 -1.020107 0.397113
C -0.938951 -2.777891 -0.763677
C 0.167919 0.519057 0.571503
C -1.879837 -0.565361 0.027408
C -1.314430 0.655979 0.315008
C 1.618520 -1.290748 -3.231427
C 0.991914 1.429395 -0.331494
C -3.343367 -0.720214 -0.355609
C -2.073689 1.875261 0.366062
C 2.130917 -1.268721 2.091531
C -4.151080 0.486481 -0.164637
C -3.594768 1.685866 0.196617
C -5.619815 0.325393 -0.386271
C 3.412264 1.130007 -0.199132
C 5.842042 1.075478 0.315029
C 6.133596 0.151896 1.494127
H 2.328090 -1.612131 -0.603348
H 0.851820 -3.599634 -1.834522
H -1.790394 -2.755647 -1.480518
H -1.012834 -3.713281 -0.166338
H 0.385435 0.781780 1.642287
H 2.316223 -0.443172 -3.070365
H 1.039156 -1.090067 -4.149630
H 2.225781 -2.192143 -3.393385
H 0.558255 2.451635 -0.380064
H 1.162664 1.027307 -1.345302
H 2.289951 -0.184571 2.080059
H 2.876038 -1.788328 1.481844
H 2.131275 -1.653276 3.119903
H -6.187741 0.483746 0.540281
H -5.859763 -0.695219 -0.734314
H -5.996996 1.013052 -1.153644
H -5.300183 2.868451 0.259687
H -3.829893 3.701871 0.581691
H 4.346111 2.317345 1.232777
H 5.895442 0.510435 -0.647438
H 6.599087 1.891682 0.256169
H 6.099144 0.678781 2.454872
H 5.419460 -0.679087 1.547893
H 7.134354 -0.290529 1.404852


%chk=000281832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281832

0 1
O 0.379921 -1.830565 1.913505
O 2.302003 1.280269 0.710475
O -3.842638 -1.793712 -0.920982
O -1.805531 2.999490 0.962329
O 3.371445 1.252696 -1.402607
N 0.793152 -1.373332 -1.838734
N -1.108549 -1.573173 0.095809
N -4.349224 2.905198 0.189510
N 4.561800 1.446959 0.615069
C 1.193093 -1.656738 -0.406536
C 0.454831 -2.711623 -1.222115
C 0.206553 -1.108255 0.632754
C -0.995235 -2.791540 -0.739078
C 0.016692 0.437982 0.865220
C -2.001959 -0.539479 0.030012
C -1.446977 0.652060 0.497994
C 1.905573 -1.366015 -2.828628
C 0.953151 1.362299 0.074665
C -3.417608 -0.664493 -0.476749
C -2.222962 1.845417 0.562210
C 1.683022 -1.626104 2.565176
C -4.228602 0.540708 -0.418944
C -3.671666 1.721721 0.082805
C -5.662314 0.481044 -0.901667
C 3.420956 1.327020 -0.145930
C 5.908960 1.468914 0.024548
C 6.745093 0.225606 0.392895
H 2.254009 -1.755690 -0.158097
H 0.964821 -3.612427 -1.580344
H -1.746731 -2.759304 -1.541942
H -1.158460 -3.698951 -0.129478
H 0.168118 0.639621 1.943035
H 2.400808 -0.381861 -2.784651
H 1.473047 -1.518556 -3.832478
H 2.674292 -2.154048 -2.650993
H 0.610620 2.405920 0.172116
H 1.027233 1.076440 -0.986235
H 1.979275 -0.559145 2.568952
H 2.481375 -2.221877 2.079267
H 1.548392 -1.980941 3.599016
H -6.383193 0.714412 -0.092185
H -5.881023 -0.536508 -1.263393
H -5.850363 1.186373 -1.736265
H -5.320552 3.006131 -0.091828
H -3.812771 3.698248 0.558920
H 4.444059 1.532001 1.625608
H 5.771751 1.531554 -1.068118
H 6.432993 2.389218 0.348288
H 6.883219 0.140005 1.486782
H 6.254331 -0.695474 0.032684
H 7.746769 0.289100 -0.070168


