%chk=000200327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200327

0 1
O 3.912401 1.290539 -0.317066
O -3.465123 -1.140969 0.942752
O 6.592665 -2.817823 -0.243288
N -6.934925 -1.100391 -0.192358
C 1.913749 0.182609 0.057625
C 2.985062 -0.799809 0.022441
C -5.784175 -1.334250 0.733241
C 2.494674 1.412625 -0.142642
C 0.502774 -0.130995 0.256084
C 4.182367 -0.068884 -0.208866
C -8.164046 -0.649594 0.539403
C -7.203369 -2.312908 -1.036996
C -4.545935 -0.748113 0.037514
C 2.028030 2.787594 -0.216509
C 3.056735 -2.196292 0.144148
C -0.459151 0.297914 -0.670471
C 0.102891 -0.884433 1.379514
C -2.184295 -0.758761 0.630539
C 5.449296 -0.644138 -0.314541
C -1.810531 -0.010460 -0.493240
C -1.234117 -1.200842 1.576976
C 5.467083 -2.034470 -0.178389
C -7.985064 0.787232 1.030868
C -7.995870 -1.913838 -2.282424
C 4.294122 -2.811857 0.046126
C 0.839643 3.166935 0.431964
C 2.768130 3.745729 -0.933450
C 0.395080 4.488457 0.351907
C 2.316855 5.064515 -1.005829
C 1.129775 5.437648 -0.366044
C 7.865539 -2.161890 -0.467699
H -5.608223 -2.402787 0.982397
H -5.932574 -0.822588 1.709423
H -8.429279 -1.316692 1.387716
H -9.019260 -0.686234 -0.173817
H -7.738405 -3.113644 -0.482054
H -6.226354 -2.743894 -1.351816
H -4.359813 -1.191017 -0.954030
H -4.581936 0.351137 -0.028714
H 2.149281 -2.777285 0.309500
H -0.149430 0.878372 -1.541336
H 0.853758 -1.213036 2.099780
H 6.328911 -0.040194 -0.487477
H -2.540340 0.328172 -1.220901
H -1.565719 -1.777054 2.437296
H -8.923658 1.185720 1.429282
H -7.661088 1.443322 0.211373
H -7.227092 0.863455 1.818704
H -8.056876 -2.745069 -2.992254
H -7.520261 -1.066034 -2.794660
H -9.018295 -1.603833 -2.038190
H 4.400582 -3.890985 0.134741
H 0.268240 2.430498 0.999166
H 3.695192 3.449468 -1.426359
H -0.526601 4.779416 0.853709
H 2.891094 5.803946 -1.561730
H 0.779562 6.466444 -0.425375
H 8.558578 -3.013272 -0.469430
H 7.863993 -1.653585 -1.436280
H 8.087843 -1.475028 0.354148


%chk=000200327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200327

0 1
O 3.926442 1.261262 -0.440106
O -3.508844 -1.277371 1.108288
O 6.717792 -2.840285 -0.244697
N -7.021942 -1.116913 -0.148336
C 1.947157 0.179622 0.121223
C 3.032407 -0.798453 0.103975
C -5.901392 -1.403321 0.781380
C 2.516700 1.416742 -0.198319
C 0.523745 -0.152692 0.361037
C 4.216126 -0.096721 -0.244931
C -8.271421 -0.689292 0.533790
C -7.227740 -2.198822 -1.149900
C -4.591894 -0.854939 0.199142
C 2.040059 2.799208 -0.293895
C 3.122771 -2.201510 0.309475
C -0.497565 0.263149 -0.531969
C 0.145125 -0.951459 1.478602
C -2.202867 -0.872542 0.801686
C 5.483911 -0.681574 -0.384507
C -1.849012 -0.084073 -0.323124
C -1.196992 -1.304832 1.702248
C 5.541961 -2.078431 -0.157264
C -8.188464 0.748111 1.081561
C -7.873640 -1.699865 -2.456723
C 4.372668 -2.827346 0.180451
C 0.825740 3.216950 0.324038
C 2.817374 3.769438 -0.991810
C 0.399111 4.556838 0.230009
C 2.385075 5.108173 -1.080686
C 1.171743 5.510666 -0.474736
C 7.952381 -2.137072 -0.597492
H -5.783331 -2.491952 0.986860
H -6.085639 -0.915608 1.754574
H -8.550110 -1.393264 1.358464
H -9.090469 -0.735834 -0.206483
H -7.834916 -3.037060 -0.723356
H -6.235706 -2.626323 -1.389768
H -4.409612 -1.262432 -0.816266
H -4.636259 0.249890 0.137345
H 2.234303 -2.791803 0.553548
H -0.228704 0.861353 -1.409459
H 0.911456 -1.273733 2.192383
H 6.354940 -0.080484 -0.653733
H -2.605307 0.253839 -1.037520
H -1.489723 -1.909507 2.566070
H -9.141064 1.034394 1.565211
H -7.980140 1.455582 0.260137
H -7.386473 0.855208 1.834716
H -7.976223 -2.531966 -3.178099
H -7.250765 -0.910200 -2.911863
H -8.881708 -1.280702 -2.286173
H 4.486373 -3.904793 0.331251
H 0.226077 2.496417 0.887152
H 3.758637 3.460522 -1.455848
H -0.534899 4.859716 0.716498
H 2.995352 5.838941 -1.623317
H 0.836509 6.551421 -0.544465
H 8.732408 -2.912264 -0.610036
H 7.875777 -1.667921 -1.597950
H 8.204799 -1.365284 0.155822


