%chk=000218216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218216

0 1
O -1.350860 -2.339955 -1.140824
O -3.880462 2.793167 -0.131497
N -0.152539 -1.457472 0.608428
N -2.643475 0.279493 0.410236
C 1.207062 -1.842088 0.107274
C 1.279633 -3.378520 -0.101942
C 2.242062 -1.550892 1.226661
C 1.718032 -3.975127 1.243799
C 2.351866 -2.833924 2.066034
C 1.514599 -1.078212 -1.204696
C 1.822569 0.377189 -0.998566
C -1.323656 -1.714526 -0.090424
C -2.613712 -1.206515 0.570091
C 0.804537 1.291561 -0.685351
C 3.143534 0.837142 -1.129486
C -3.574586 0.908531 1.404781
C -3.064070 0.647754 -0.984160
C -3.515817 2.434011 1.215331
C -3.024883 2.176795 -1.116958
C 1.106249 2.642884 -0.501045
C 3.439088 2.190522 -0.947041
C 2.422630 3.097042 -0.631074
H 2.007575 -3.624710 -0.893807
H 0.314697 -3.791338 -0.451045
H 1.973756 -0.674163 1.837494
H 3.218072 -1.299333 0.771585
H 0.851382 -4.401150 1.778745
H 2.428804 -4.804467 1.095619
H 3.404528 -3.055438 2.308223
H 1.830571 -2.716923 3.031253
H 0.649262 -1.195501 -1.899250
H 2.353607 -1.580479 -1.727803
H -0.175868 -0.816926 1.401205
H -2.632754 -1.481880 1.645655
H -3.474555 -1.734538 0.099674
H -0.226166 0.948476 -0.580774
H 3.941505 0.140969 -1.377939
H -4.623656 0.557099 1.299992
H -3.235195 0.642880 2.427755
H -2.355049 0.178411 -1.703023
H -4.077590 0.271730 -1.243515
H -4.279613 2.957736 1.816511
H -2.510480 2.834532 1.435593
H -2.001219 2.575785 -1.004175
H -3.469114 2.524390 -2.066477
H 0.311916 3.345780 -0.255162
H 4.464837 2.539522 -1.052675
H 2.654049 4.149877 -0.489528


%chk=000218216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218216

0 1
O -0.771431 -2.313226 -1.939186
O -3.235784 2.539395 1.648320
N -0.138735 -1.301017 0.087082
N -2.449661 0.074575 0.330622
C 1.276490 -1.743429 0.165534
C 1.340281 -3.290632 0.354249
C 1.847275 -1.235518 1.519046
C 0.968811 -3.541886 1.844096
C 1.260778 -2.195237 2.594461
C 2.088660 -1.294227 -1.094482
C 2.002830 0.186701 -1.431319
C -1.022521 -1.598807 -0.915161
C -2.432917 -1.006626 -0.682445
C 1.125320 0.636454 -2.453457
C 2.791292 1.152219 -0.750820
C -3.720927 0.164997 1.099266
C -2.092498 1.404902 -0.243718
C -3.579676 1.222598 2.207447
C -1.980908 2.443988 0.882305
C 1.030866 2.009059 -2.779444
C 2.697495 2.525780 -1.069887
C 1.814091 2.960978 -2.085750
H 2.376527 -3.622964 0.149725
H 0.676692 -3.805721 -0.359628
H 1.616014 -0.171391 1.708835
H 2.948728 -1.331341 1.483383
H -0.098755 -3.809273 1.938039
H 1.549891 -4.381587 2.265190
H 1.962823 -2.329387 3.436548
H 0.327615 -1.782754 3.021117
H 1.719411 -1.888545 -1.949023
H 3.141333 -1.585219 -0.910636
H -0.540877 -0.688449 0.814677
H -3.076664 -1.837694 -0.335592
H -2.824848 -0.689085 -1.673928
H 0.522833 -0.102306 -2.995944
H 3.494610 0.824739 0.025149
H -4.578123 0.440755 0.438920
H -3.938644 -0.819927 1.554087
H -1.126533 1.325514 -0.774831
H -2.865553 1.737874 -0.977762
H -4.532906 1.367889 2.741891
H -2.793793 0.902444 2.926438
H -1.145160 2.170038 1.563111
H -1.805210 3.452594 0.474733
H 0.355609 2.333358 -3.579947
H 3.319596 3.253926 -0.536467
H 1.747359 4.024676 -2.341143


