%chk=000216590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216590

0 1
O 0.014569 -2.181254 -1.705329
O -4.308602 -1.346958 1.399606
O -3.050329 2.494553 -1.452901
O -5.059725 1.232519 0.290834
N 4.201316 1.882794 1.264691
N 1.031579 -0.656791 -0.289379
C 5.862855 0.252840 0.496258
C 3.421526 -0.193865 0.055519
C 5.471507 1.736930 0.486298
C 3.063405 1.170653 0.593277
C 4.756705 -0.619639 -0.025000
C 2.402304 -1.067381 -0.409822
C 5.076893 -1.873604 -0.570805
C 3.858693 3.326000 1.444176
C 2.728680 -2.314972 -0.962465
C 4.065547 -2.708658 -1.040873
C -0.069610 -1.242609 -0.943056
C -1.371323 -0.566476 -0.585878
C -1.672541 0.674452 -1.139038
C -2.246310 -1.213032 0.290140
C -3.473490 -0.604035 0.589334
C -2.915242 1.277973 -0.845376
C -3.838570 0.630439 0.004722
C -4.877328 -0.645723 2.540628
C -4.260368 3.263231 -1.220309
C -6.185616 0.540828 -0.329020
H 6.092245 -0.062377 1.540177
H 6.795614 0.108467 -0.082218
H 6.260602 2.337525 0.987433
H 5.392972 2.106263 -0.558567
H 2.623279 1.767635 -0.241463
H 2.278231 1.066163 1.382151
H 6.114607 -2.192536 -0.627416
H 2.943412 3.407356 2.052130
H 3.708981 3.890857 0.512431
H 4.664664 3.811645 2.018659
H 1.942859 -2.977052 -1.339657
H 4.314012 -3.678394 -1.472074
H 0.849786 0.124208 0.347597
H -0.987902 1.183703 -1.816923
H -2.006328 -2.181283 0.729444
H -5.620933 -1.365139 2.901466
H -5.339766 0.301847 2.241911
H -4.086172 -0.486157 3.278849
H -5.103136 2.777897 -1.719290
H -4.005758 4.221173 -1.688942
H -4.449568 3.369834 -0.146123
H -6.226233 -0.498262 0.016807
H -6.095898 0.587433 -1.417126
H -7.040194 1.120577 0.032809


%chk=000216590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216590

0 1
O -0.088690 -2.800460 -0.286016
O -4.925795 -1.594995 0.656124
O -2.734684 2.643942 -0.688985
O -5.150442 1.215658 0.020424
N 4.169323 2.139850 0.680260
N 1.074893 -0.765327 -0.068520
C 5.896943 0.516909 0.043681
C 3.445308 -0.176199 0.016498
C 5.350108 1.934933 -0.186788
C 3.039207 1.267075 0.308186
C 4.809048 -0.536619 -0.111697
C 2.436800 -1.177937 -0.161145
C 5.159130 -1.881892 -0.387969
C 3.753432 3.547564 0.797311
C 2.796043 -2.524215 -0.425369
C 4.160101 -2.864172 -0.534301
C -0.085513 -1.536520 -0.163888
C -1.376138 -0.755923 -0.087788
C -1.473706 0.632555 -0.357217
C -2.541207 -1.478024 0.264616
C -3.783454 -0.825049 0.342217
C -2.721120 1.294091 -0.298356
C -3.898667 0.561133 0.025509
C -5.628445 -1.196576 1.898901
C -3.414503 3.607022 0.206872
C -6.079263 0.737890 -1.038328
H 6.315404 0.468570 1.067894
H 6.725238 0.308323 -0.660293
H 6.112979 2.687341 0.084434
H 5.104389 2.081249 -1.270767
H 2.496456 1.675087 -0.594668
H 2.317860 1.296930 1.153707
H 6.217724 -2.149816 -0.488347
H 2.934304 3.634941 1.534820
H 3.393590 3.987480 -0.168340
H 4.600870 4.156658 1.157657
H 2.010507 -3.272246 -0.538311
H 4.436726 -3.903420 -0.743209
H 0.923058 0.226697 0.114682
H -0.620365 1.237599 -0.684347
H -2.472546 -2.549477 0.471025
H -6.497087 -1.868442 1.969136
H -5.955881 -0.142567 1.849043
H -4.965762 -1.346777 2.771891
H -4.474473 3.338619 0.342503
H -3.318010 4.579615 -0.298859
H -2.900947 3.640470 1.187259
H -6.267415 -0.344144 -0.925844
H -5.652339 0.950957 -2.035112
H -7.007089 1.311236 -0.891888


