%chk=000182761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182761

0 1
O -3.619174 1.551437 -0.035420
O -0.061996 -1.342894 0.771615
O 2.184734 -1.041397 -2.220046
O -0.525138 -0.773419 -1.369778
O -3.450400 2.681400 1.881589
N 3.529519 1.266052 0.233925
C 2.316193 0.490099 -0.251020
C 2.495950 0.284734 -1.786864
C -2.186992 -0.349866 0.392935
C 4.482218 1.397974 -0.920036
C 3.992684 0.494966 -2.062562
C 2.275307 -0.768001 0.601428
C 4.095453 0.490023 1.399632
C -1.927641 0.763581 1.450399
C -3.011428 0.401590 -0.713934
C 3.256275 -0.757753 1.518562
C 1.269565 -1.843536 0.404440
C -0.858555 -0.822873 -0.204031
C -2.905869 -1.574885 0.947636
C -3.046023 1.775127 1.210431
C -1.876127 0.315707 2.900199
C -4.151617 -0.347747 -1.363113
H 1.419862 1.121169 -0.044537
H 1.856547 0.997655 -2.348785
H 5.527061 1.174361 -0.636361
H 4.452526 2.469216 -1.219718
H 4.170779 0.936954 -3.054793
H 4.506386 -0.486648 -2.065346
H 3.982628 1.137489 2.298425
H 5.173122 0.260834 1.293727
H -0.958333 1.281562 1.213468
H -2.330384 0.846615 -1.478488
H 3.473704 -1.496516 2.270194
H 1.381435 -2.687981 1.111270
H 1.258120 -2.215038 -0.643727
H -3.866480 -1.299379 1.403915
H -3.113838 -2.319164 0.168263
H -2.304982 -2.076433 1.720954
H -2.823199 -0.116056 3.246022
H -1.085739 -0.434415 3.048443
H -1.656726 1.166709 3.562920
H -4.669006 0.300545 -2.088356
H -3.799481 -1.234657 -1.903927
H -4.916082 -0.658377 -0.638587
H 1.197542 -1.141867 -2.301661


%chk=000182761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182761

0 1
O -4.148469 1.147575 0.023922
O -0.169190 -1.496061 0.605610
O 1.989773 -0.481981 -2.473756
O -0.625195 -0.497091 -1.448542
O -3.885856 2.559233 1.852874
N 3.631826 0.989701 0.517684
C 2.366962 0.434558 -0.096685
C 2.550241 0.590382 -1.665197
C -2.272983 -0.335636 0.385711
C 4.518594 1.453644 -0.597435
C 4.075076 0.656562 -1.848071
C 2.270696 -0.987684 0.461771
C 4.208497 -0.029012 1.449697
C -2.033445 1.014659 1.170230
C -3.278449 0.159581 -0.710979
C 3.287523 -1.226517 1.331717
C 1.193537 -1.972402 0.117001
C -0.962597 -0.782573 -0.265939
C -2.872448 -1.429353 1.297877
C -3.421758 1.684432 1.106375
C -1.464775 0.944614 2.594614
C -4.183964 -0.866528 -1.378968
H 1.479617 1.024709 0.219095
H 2.097300 1.563444 -1.958851
H 5.579631 1.297328 -0.334064
H 4.375433 2.539795 -0.762477
H 4.359331 1.135074 -2.799958
H 4.480607 -0.371913 -1.833425
H 4.237485 0.344116 2.495836
H 5.255627 -0.283112 1.175507
H -1.366020 1.652014 0.548216
H -2.717779 0.730524 -1.474251
H 3.430433 -2.148364 1.904821
H 1.324549 -2.923593 0.654591
H 1.128385 -2.139521 -0.970644
H -3.821500 -1.079765 1.742547
H -3.078968 -2.351550 0.728324
H -2.174043 -1.686678 2.107993
H -2.127887 0.378961 3.269937
H -0.468620 0.469774 2.597637
H -1.373376 1.965829 3.002082
H -4.853736 -0.360878 -2.094621
H -3.575440 -1.599272 -1.938814
H -4.808501 -1.401179 -0.644970
H 0.996274 -0.468949 -2.364723


