%chk=000295907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295907

0 1
O 2.371459 0.736806 -0.799149
O -0.544814 -0.998442 -1.325824
O 2.694573 0.711668 1.449979
O 0.908482 -2.270612 -0.137878
O -1.816051 0.715400 1.778612
N -0.304983 1.197098 0.081335
N -2.392323 2.341402 0.244738
C 0.521058 0.060075 0.514454
C 1.984216 0.531320 0.498139
C 0.356731 -1.215148 -0.317591
C -1.561919 1.350953 0.765841
C -3.708665 2.614165 0.877336
C 3.756755 1.156454 -1.044990
C -0.894612 -2.135891 -2.186529
C -4.854036 2.254412 -0.064261
C 4.686614 -0.023480 -0.870924
C -1.849686 -3.052416 -1.455324
H 0.256682 -0.210364 1.595120
H -0.268786 1.359089 -0.929672
H -3.785598 2.029184 1.828196
H -3.747085 3.692411 1.153387
H -2.167707 2.852409 -0.598858
H 3.678499 1.505369 -2.090836
H 3.991348 1.993534 -0.363931
H -1.356313 -1.607171 -3.040079
H 0.039156 -2.641566 -2.490596
H -4.828499 2.833087 -0.994043
H -4.832191 1.191244 -0.338126
H -5.823564 2.444518 0.413273
H 5.702959 0.210599 -1.209054
H 4.339799 -0.900615 -1.434084
H 4.753752 -0.329280 0.185163
H -2.268255 -3.814598 -2.123345
H -2.687939 -2.497102 -1.013254
H -1.346056 -3.580113 -0.630026


%chk=000295907-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295907

0 1
O 2.312218 0.846530 -0.722800
O -0.687603 -1.207530 -1.341224
O 2.594973 0.485910 1.571196
O 1.116072 -2.251377 -0.287830
O -1.885886 0.798509 1.854976
N -0.433792 1.090473 0.041486
N -2.366383 2.416716 0.227061
C 0.417563 -0.007917 0.462914
C 1.889387 0.443384 0.546674
C 0.339683 -1.278247 -0.412255
C -1.592853 1.398773 0.774426
C -3.625602 2.852250 0.851671
C 3.736076 1.300012 -0.840337
C -0.894355 -2.425700 -2.192766
C -4.867348 2.512725 0.000843
C 4.666662 0.099821 -1.027571
C -1.783050 -3.439667 -1.469218
H 0.094868 -0.289481 1.483020
H -0.283314 1.463901 -0.896174
H -3.675081 2.339104 1.826763
H -3.582246 3.941954 1.047540
H -2.074701 2.868542 -0.640750
H 3.724287 1.962390 -1.720646
H 3.992562 1.874612 0.067200
H -1.372065 -2.023937 -3.100442
H 0.094784 -2.852833 -2.434792
H -4.830323 3.005503 -0.989177
H -4.941489 1.422732 -0.156854
H -5.785972 2.853666 0.513027
H 5.701465 0.455014 -1.188963
H 4.365420 -0.501023 -1.902645
H 4.658782 -0.546849 -0.134666
H -1.998592 -4.290752 -2.141587
H -2.741674 -2.981847 -1.171139
H -1.279471 -3.830960 -0.569760


