%chk=000209716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209716

0 1
O -2.940243 -1.694983 -2.332504
O 0.007276 -2.832266 0.363358
O -4.141810 -2.675955 -0.538053
O 1.965767 -4.137203 0.067312
N 0.337942 2.222173 -1.027974
N -1.683557 2.830080 1.640494
N 3.712002 2.006190 -0.486470
C -0.899131 2.978015 -0.636277
C 1.386260 2.359034 0.037828
C -1.639003 2.216689 0.448364
C 2.537307 1.409582 -0.232393
C -2.273470 0.952904 0.199450
C 2.388819 -0.018225 -0.171510
C -2.993666 0.357879 1.278777
C 3.561423 -0.807960 -0.368431
C -2.191061 0.300456 -1.083946
C 1.112302 -0.639181 0.077059
C 0.848053 2.719803 -2.340479
C -2.847825 -0.880289 -1.208715
C 1.096552 -1.995146 0.134287
C -3.675276 -0.904673 1.109878
C 3.505530 -2.249580 -0.301055
C -3.585709 -1.482297 -0.115594
C 2.288414 -2.797313 -0.049911
C -3.032477 1.026418 2.529819
C 4.794267 -0.155413 -0.630939
C -2.374660 2.238677 2.683764
C 4.839700 1.229940 -0.689735
C -3.743415 -2.849638 -1.939816
C 0.524928 -4.196914 0.339856
C -2.372516 2.981566 3.977980
C 6.105129 1.970664 -0.969497
H -1.565157 3.075187 -1.524331
H -0.687931 4.019839 -0.293973
H 0.932187 2.106292 1.026101
H 1.770975 3.403227 0.137271
H -1.604340 0.737469 -1.891657
H 0.211600 -0.032054 0.188208
H 1.141455 3.780135 -2.351950
H 0.084871 2.553111 -3.115850
H 1.734451 2.125333 -2.625233
H -4.219706 -1.349713 1.936588
H 4.403130 -2.841701 -0.446595
H -3.576356 0.580651 3.358761
H 5.692213 -0.748140 -0.783470
H -3.107441 -3.742615 -1.997506
H -4.657490 -2.850200 -2.548296
H 0.050537 -4.726547 -0.496342
H 0.392657 -4.629587 1.340504
H -1.802765 3.923554 3.911379
H -3.393281 3.242499 4.290955
H -1.917552 2.384156 4.780685
H 6.866579 1.761804 -0.204907
H 6.524157 1.691675 -1.946191
H 5.948554 3.062190 -0.981278


%chk=000209716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209716

0 1
O -2.911416 -1.798856 -2.062268
O 0.026786 -3.112158 -0.291901
O -4.084800 -2.718220 -0.196240
O 2.051366 -4.341512 -0.625535
N 0.295903 2.220982 -1.033008
N -1.817157 3.076840 1.632974
N 3.679875 1.928674 -0.331696
C -0.907979 3.008341 -0.628137
C 1.294095 2.162275 0.077253
C -1.713930 2.360716 0.490840
C 2.496016 1.277098 -0.225722
C -2.341703 1.072921 0.312711
C 2.382164 -0.156140 -0.347592
C -3.091151 0.530677 1.433138
C 3.605667 -0.910147 -0.570901
C -2.238503 0.333010 -0.920564
C 1.117095 -0.840850 -0.237763
C 0.886638 2.766459 -2.278759
C -2.852703 -0.901004 -0.968817
C 1.133809 -2.217488 -0.332476
C -3.714272 -0.765278 1.334461
C 3.569130 -2.347634 -0.670580
C -3.566336 -1.448557 0.143716
C 2.338769 -2.959322 -0.540658
C -3.177544 1.317606 2.624602
C 4.832017 -0.186273 -0.676338
C -2.550470 2.567829 2.694782
C 4.842059 1.210622 -0.560422
C -3.435086 -3.060163 -1.491696
C 0.626144 -4.467844 -0.229911
C -2.617305 3.448657 3.922166
C 6.118944 2.020201 -0.669830
H -1.543125 3.111957 -1.530235
H -0.641490 4.033651 -0.281768
H 0.767626 1.793484 0.977864
H 1.696612 3.173692 0.315056
H -1.648333 0.720478 -1.752090
H 0.191262 -0.277728 -0.119139
H 1.252135 3.815955 -2.164544
H 0.130492 2.744806 -3.084341
H 1.742012 2.144491 -2.589758
H -4.271737 -1.185509 2.175688
H 4.483872 -2.922325 -0.837839
H -3.739119 0.937950 3.484904
H 5.769235 -0.728323 -0.845669
H -2.587533 -3.742510 -1.292877
H -4.192041 -3.477062 -2.171279
H 0.114563 -5.122605 -0.951566
H 0.574001 -4.841597 0.810239
H -1.600215 3.662627 4.297582
H -3.074772 4.422854 3.670607
H -3.203577 2.980264 4.730601
H 6.838432 1.749184 0.125602
H 6.623757 1.853445 -1.639707
H 5.881018 3.090960 -0.575361


